2-[2-(4-chlorophenyl)ethanimidoyl]-N-(1,1-dimethylazepan-1-ium-4-yl)benzamide

Systemtic Name: 2-[2-(4-chlorophenyl)ethanimidoyl]-N-(1,1-dimethylazepan-1-ium-4-yl)benzamide Openeye Name: 2-[2-(4-chlorophenyl)ethanimidoyl]-N-(1,1-dimethylazepan-1-ium-4-yl)benzamide CAS Name: 2-[2-(4-chlorophenyl)-1-iminoethyl]-N-(1,1-dimethyl-4-azepan-1-iumyl)benzamide IUPAC Name: 2-[2-(4-chlorophenyl)ethanimidoyl]-N-(1,1-dimethylazepan-1-ium-4-yl)benzamide Traditional Name: 2-[2-(4-chlorophenyl)acetimidoyl]-N-(1,1-dimethylazepan-1-ium-4-yl)benzamide Formula: C23H29ClN3O+ MolecularWeight: 398.94886

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(CC1)NC(=O)C2=CC=CC=C2C(=N)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

C[N+]1(CCCC(CC1)NC(=O)C2=CC=CC=C2C(=N)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H28ClN3O/c1-27(2)14-5-6-19(13-15-27)26-23(28)21-8-4-3-7-20(21)22(25)16-17-9-11-18(24)12-10-17/h3-4,7-12,19,25H,5-6,13-16H2,1-2H3/p+1