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1-Benzyl-6-bromo-3-carbethoxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate
SpectraBase Compound ID JfEfQq1CTyh
InChI InChI=1S/C25H29BrN2O3/c1-3-31-25(30)22-17(2)28(15-18-10-6-4-7-11-18)21-14-20(26)24(29)19(23(21)22)16-27-12-8-5-9-13-27/h4,6-7,10-11,14,29H,3,5,8-9,12-13,15-16H2,1-2H3
InChIKey VEAVXUPULGBFCT-UHFFFAOYSA-N
Mol Weight 485.42 g/mol
Molecular Formula C25H29BrN2O3
Exact Mass 484.136156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oq9VbQPyq
Name 1-Benzyl-6-bromo-3-carbethoxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate
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Formula C25H29BrN2O3
InChI InChI=1S/C25H29BrN2O3/c1-3-31-25(30)22-17(2)28(15-18-10-6-4-7-11-18)21-14-20(26)24(29)19(23(21)22)16-27-12-8-5-9-13-27/h4,6-7,10-11,14,29H,3,5,8-9,12-13,15-16H2,1-2H3
InChIKey VEAVXUPULGBFCT-UHFFFAOYSA-N
Molecular Weight 485.422 g/mol
SMILES Oc1c(c2c(c([n](Cc3ccccc3)c2cc1Br)C)C(=O)OCC)CN1CCCCC1
SPLASH splash10-0536-9000100000-450eb7bbb13f9a810738
Synonyms 1-Benzyl-6-bromo-3-ethoxycarbonyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate 1-Benzyl-6-bromo-5-hydroxy-2-methyl-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester 6-Bromanyl-3-ethoxycarbonyl-2-methyl-1-(phenylmethyl)-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate 6-Bromo-3-ethoxycarbonyl-2-methyl-1-(phenylmethyl)-4-(1-piperidin-1-iumylmethyl)-5-indololate 6-Bromo-5-hydroxy-2-methyl-1-(phenylmethyl)-4-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester Ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-(1-piperidylmethyl)indole-3-carboxylate Ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Ethyl 6-bromanyl-2-methyl-5-oxidanyl-1-(phenylmethyl)-4-(piperidin-1-ylmethyl)indole-3-carboxylate
Wiley ID 1436671