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

Systemtic Name: (4-methylphenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: [(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (4-methylphenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: [(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]-(p-tolyl)methanone Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C24H31N3O/c1-19-9-11-21(12-10-19)24(28)27-13-5-7-22(18-27)25-14-16-26(17-15-25)23-8-4-3-6-20(23)2/h3-4,6,8-12,22H,5,7,13-18H2,1-2H3/p+1/t22-/m0/s1