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

Systemtic Name: N-[3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]phenyl]acetamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2/c1-19-7-3-4-11-24(19)28-15-13-27(14-16-28)23-10-6-12-29(18-23)25(31)21-8-5-9-22(17-21)26-20(2)30/h3-5,7-9,11,17,23H,6,10,12-16,18H2,1-2H3,(H,26,30)/p+1/t23-/m0/s1