N-[(3-chlorophenyl)methyl]-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3-chlorobenzyl)-N-methyl-acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O2/c1-23(15-17-6-5-9-19(22)14-17)20(26)16-24-10-12-25(13-11-24)21(27)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3/p+1