4-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-(m-tolyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-chlorobenzyl)-N-(m-tolyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O/c1-16-4-2-5-19(14-16)22-20(25)24-11-3-10-23(12-13-24)15-17-6-8-18(21)9-7-17/h2,4-9,14H,3,10-13,15H2,1H3,(H,22,25)/p+1