N-(3-azanylidene-1H-isoindol-2-yl)-1-[(2-cyanophenyl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-(3-azanylidene-1H-isoindol-2-yl)-1-[(2-cyanophenyl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(2-cyanophenyl)methyl]-N-(1-iminoisoindolin-2-yl)pyridin-1-ium-3-carboxamide CAS Name: 1-[(2-cyanophenyl)methyl]-N-(3-imino-1H-isoindol-2-yl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2-cyanophenyl)methyl]-N-(3-imino-1H-isoindol-2-yl)pyridin-1-ium-3-carboxamide Traditional Name: 1-(2-cyanobenzyl)-N-(1-iminoisoindolin-2-yl)pyridin-1-ium-3-carboxamide Formula: C22H18N5O+ MolecularWeight: 368.41122

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=N)N1NC(=O)C3=C[N+](=CC=C3)CC4=CC=CC=C4C#N

Isomeric SMILES

C1C2=CC=CC=C2C(=N)N1NC(=O)C3=C[N+](=CC=C3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C22H17N5O/c23-12-16-6-1-2-7-17(16)13-26-11-5-9-19(14-26)22(28)25-27-15-18-8-3-4-10-20(18)21(27)24/h1-11,14,24H,13,15H2/p+1