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CHEBI:145983 - 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+)

ChEBI IDCHEBI:145983
ChEBI Name4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+)
Stars
DefinitionAn ammonium ion derivative resulting from the protonation of the amino group of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile.
Last Modified3 February 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H21N2O3
Net Charge+1
Average Mass313.377
Monoisotopic Mass313.15467
SMILESCOc1cc(CC[NH2+]Cc2ccccc2O)c(OC)cc1C#N
InChIInChI=1S/C18H20N2O3/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21/h3-6,9-10,20-21H,7-8,12H2,1-2H3/p+1
InChIKeyVWEDZTZAXHMZIL-UHFFFAOYSA-O
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+) (CHEBI:145983) is a ammonium ion derivative (CHEBI:35274)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+) (CHEBI:145983) is conjugate acid of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979)
Incoming Relation(s)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile·HCl (CHEBI:140907) has part 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+) (CHEBI:145983)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979) is conjugate base of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+) (CHEBI:145983)
IUPAC Name 
2-(4-cyano-2,5-dimethoxyphenyl)-N-(2-hydroxybenzyl)ethanaminium
Synonyms  Source
2-([2-(4-cyano-2,5-dimethoxyphenyl)ethylamino]methyl)phenol(1+)ChEBI
25CN-NBOH(1+)ChEBI
NBOH-2C-CN(1+)ChEBI
Manual XrefsDatabases
25CN-NBOHWikipedia