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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylbenzyl)-N-methyl-acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-18-9-10-21(19(2)15-18)16-24(3)22(27)17-25-11-13-26(14-12-25)23(28)20-7-5-4-6-8-20/h4-10,15H,11-14,16-17H2,1-3H3/p+1