[(3S)-3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(4-methylsulfanylphenyl)methyl]-3-(o-tolylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-[(2-methylphenyl)methyl]-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-(2-methylbenzyl)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]methanol Formula: C22H30NOS+ MolecularWeight: 356.5447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCC[NH+](C2)CC3=CC=C(C=C3)SC)CO

Isomeric SMILES

CC1=CC=CC=C1C[C@]2(CCC[NH+](C2)CC3=CC=C(C=C3)SC)CO

InChI

InChI=1S/C22H29NOS/c1-18-6-3-4-7-20(18)14-22(17-24)12-5-13-23(16-22)15-19-8-10-21(25-2)11-9-19/h3-4,6-11,24H,5,12-17H2,1-2H3/p+1/t22-/m0/s1