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

Systemtic Name: N-(3-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-chlorobenzyl)-N-(3-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C19H22Cl2N3O+ MolecularWeight: 379.30348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2N3O/c20-16-7-5-15(6-8-16)14-23-9-2-10-24(12-11-23)19(25)22-18-4-1-3-17(21)13-18/h1,3-8,13H,2,9-12,14H2,(H,22,25)/p+1