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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-dimethylbenzyl)-N-methyl-acetamide Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O/c1-17-7-8-19(18(2)13-17)15-24(3)22(27)16-25-9-11-26(12-10-25)21-6-4-5-20(23)14-21/h4-8,13-14H,9-12,15-16H2,1-3H3/p+1