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7-Benzyl-9-methyl-2-(1-piperidyl)-3H-purin-9-ium-6-one
SpectraBase Compound ID tSwGwXdSYo
InChI InChI=1S/C18H21N5O/c1-21-13-23(12-14-8-4-2-5-9-14)15-16(21)19-18(20-17(15)24)22-10-6-3-7-11-22/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3/p+1
InChIKey PFZGPPUPNIEWOA-UHFFFAOYSA-O
Mol Weight 324.41 g/mol
Molecular Formula C18H22N5O
Exact Mass 324.182435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaHcMNmPTDG
Name 7-Benzyl-9-methyl-2-(1-piperidyl)-3H-purin-9-ium-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N5O
InChI InChI=1S/C18H21N5O/c1-21-13-23(12-14-8-4-2-5-9-14)15-16(21)19-18(20-17(15)24)22-10-6-3-7-11-22/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3/p+1
InChIKey PFZGPPUPNIEWOA-UHFFFAOYSA-O
Molecular Weight 324.408 g/mol
SMILES N1C(=Nc2c(C1=O)[n](c[n+]2C)Cc1ccccc1)N1CCCCC1
SPLASH splash10-000x-9661000000-0844e28c3067709817c2
Synonyms 7-Benzyl-9-methyl-2-piperidin-1-yl-3H-purin-9-ium-6-one 7-Benzyl-9-methyl-2-piperidino-3H-purin-9-ium-6-one 9-Methyl-7-(phenylmethyl)-2-(1-piperidinyl)-3H-purin-9-ium-6-one 9-Methyl-7-(phenylmethyl)-2-piperidin-1-yl-3H-purin-9-ium-6-one
Wiley ID 1451565