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

Systemtic Name: (4-methoxyphenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: (4-methoxyphenyl)-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (4-methoxyphenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: (4-methoxyphenyl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-19-6-3-4-8-23(19)26-16-14-25(15-17-26)21-7-5-13-27(18-21)24(28)20-9-11-22(29-2)12-10-20/h3-4,6,8-12,21H,5,7,13-18H2,1-2H3/p+1/t21-/m0/s1