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

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-cyanobenzyl)-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O/c21-15-17-7-9-18(10-8-17)16-23-11-4-12-24(14-13-23)20(25)22-19-5-2-1-3-6-19/h1-3,5-10H,4,11-14,16H2,(H,22,25)/p+1