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

Systemtic Name: N-[(2-methylphenyl)methyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(o-tolylmethyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-methylbenzyl)acetamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-17-7-5-6-10-19(17)15-22-20(25)16-23-11-13-24(14-12-23)21(26)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,22,25)/p+1