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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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