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

Systemtic Name: 4-[(4-methylphenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-phenyl-4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-methylphenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-methylphenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-methylbenzyl)-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c1-17-8-10-18(11-9-17)16-22-12-5-13-23(15-14-22)20(24)21-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H,21,24)/p+1