4-[(4-cyanophenyl)methyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(p-tolyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(4-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-cyanobenzyl)-N-(p-tolyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O/c1-17-3-9-20(10-4-17)23-21(26)25-12-2-11-24(13-14-25)16-19-7-5-18(15-22)6-8-19/h3-10H,2,11-14,16H2,1H3,(H,23,26)/p+1