3-methyl-N-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 3-methyl-N-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 3-methyl-N-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 3-methyl-N-[2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 3-methyl-N-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 3-methyl-N-[2-(4-m-toluoylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-17-5-3-7-19(15-17)21(26)23-9-10-24-11-13-25(14-12-24)22(27)20-8-4-6-18(2)16-20/h3-8,15-16H,9-14H2,1-2H3,(H,23,26)/p+1