1-[2-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylphenyl]ethanone

Systemtic Name: 1-[2-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylphenyl]ethanone Openeye Name: 1-[2-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]phenyl]ethanone CAS Name: 1-[2-[[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]phenyl]ethanone IUPAC Name: 1-[2-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]phenyl]ethanone Traditional Name: 1-[2-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]phenyl]ethanone Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC=CC=C4C(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC=CC=C4C(=O)C

InChI

InChI=1S/C25H31N3O2/c1-19-8-3-6-12-24(19)27-16-14-26(15-17-27)21-9-7-13-28(18-21)25(30)23-11-5-4-10-22(23)20(2)29/h3-6,8,10-12,21H,7,9,13-18H2,1-2H3/p+1/t21-/m0/s1