4-[(4-chlorophenyl)methyl]-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-(1-naphthyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-(1-naphthalenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-chlorobenzyl)-N-(1-naphthyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C23H25ClN3O+ MolecularWeight: 394.9171

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN3O/c24-20-11-9-18(10-12-20)17-26-13-4-14-27(16-15-26)23(28)25-22-8-3-6-19-5-1-2-7-21(19)22/h1-3,5-12H,4,13-17H2,(H,25,28)/p+1