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

Systemtic Name: [(3S)-3-[(2-methylphenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-(3-methylsulfanylpropyl)-3-(o-tolylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-[(2-methylphenyl)methyl]-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-[(2-methylphenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-(2-methylbenzyl)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methanol Formula: C18H30NOS+ MolecularWeight: 308.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCC[NH+](C2)CCCSC)CO

Isomeric SMILES

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

InChI

InChI=1S/C18H29NOS/c1-16-7-3-4-8-17(16)13-18(15-20)9-5-10-19(14-18)11-6-12-21-2/h3-4,7-8,20H,5-6,9-15H2,1-2H3/p+1/t18-/m0/s1