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1-Butyl-3-carbethoxy-2-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]indol-5-olate
SpectraBase Compound ID 9faAuWrwgTO
InChI InChI=1S/C22H33N3O3/c1-5-7-10-25-16(3)20(22(27)28-6-2)21-17(19(26)9-8-18(21)25)15-24-13-11-23(4)12-14-24/h8-9,26H,5-7,10-15H2,1-4H3
InChIKey UJWSRLRJLUNLAT-UHFFFAOYSA-N
Mol Weight 387.5 g/mol
Molecular Formula C22H33N3O3
Exact Mass 387.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HADaa1lEwp0
Name 1-Butyl-3-carbethoxy-2-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]indol-5-olate
Alternate Name(s) 1-Butyl-3-ethoxycarbonyl-2-methyl-4-[(4-methyl-1-piperazin-1-iumyl)methyl]-5-indololate 1-Butyl-3-ethoxycarbonyl-2-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]indol-5-olate 1-Butyl-5-hydroxy-2-methyl-4-[(4-methyl-1-piperazinyl)methyl]-3-indolecarboxylic acid ethyl ester 1-Butyl-5-hydroxy-2-methyl-4-[(4-methylpiperazino)methyl]indole-3-carboxylic acid ethyl ester Ethyl 1-butyl-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Ethyl 1-butyl-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]indole-3-carboxylate
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Formula C22H33N3O3
InChI InChI=1S/C22H33N3O3/c1-5-7-10-25-16(3)20(22(27)28-6-2)21-17(19(26)9-8-18(21)25)15-24-13-11-23(4)12-14-24/h8-9,26H,5-7,10-15H2,1-4H3
InChIKey UJWSRLRJLUNLAT-UHFFFAOYSA-N
Molecular Weight 387.524 g/mol
SMILES Oc1ccc2c(c1CN1CCN(CC1)C)c(c([n]2CCCC)C)C(=O)OCC
SPLASH splash10-052v-9341000000-00f47f6035038e7da0df
Wiley ID 1444204