N-(3-methylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-(m-tolyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(3-methylphenyl)-N-(phenylmethyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-(m-tolyl)acetamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c1-22-9-8-14-25(19-22)30(20-23-10-4-2-5-11-23)26(31)21-28-15-17-29(18-16-28)27(32)24-12-6-3-7-13-24/h2-14,19H,15-18,20-21H2,1H3/p+1