1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-(4-methylsulfanylphenyl)ethanone CAS Name: 1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-[4-(methylthio)phenyl]ethanone IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-2-[4-(methylthio)phenyl]ethanone Formula: C25H34N3O2S+ MolecularWeight: 440.62136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H33N3O2S/c1-30-24-8-4-3-7-23(24)27-16-14-26(15-17-27)21-6-5-13-28(19-21)25(29)18-20-9-11-22(31-2)12-10-20/h3-4,7-12,21H,5-6,13-19H2,1-2H3/p+1/t21-/m0/s1