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

Systemtic Name: [(3S)-1-(3-methylsulfanylpropyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-(3-methylsulfanylpropyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[3-(methylthio)propyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-(3-methylsulfanylpropyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[3-(methylthio)propyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Formula: C18H30NO2S+ MolecularWeight: 324.5013

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCC(C1)(CCOC2=CC=CC=C2)CO

Isomeric SMILES

CSCCC[NH+]1CCC[C@@](C1)(CCOC2=CC=CC=C2)CO

InChI

InChI=1S/C18H29NO2S/c1-22-14-6-12-19-11-5-9-18(15-19,16-20)10-13-21-17-7-3-2-4-8-17/h2-4,7-8,20H,5-6,9-16H2,1H3/p+1/t18-/m0/s1