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

Systemtic Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-[4-(methylthio)phenyl]methanone Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H31N3O2S/c1-29-22-9-7-20(8-10-22)25-14-16-26(17-15-25)21-4-3-13-27(18-21)24(28)19-5-11-23(30-2)12-6-19/h5-12,21H,3-4,13-18H2,1-2H3/p+1/t21-/m0/s1