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

Systemtic Name: [1-[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Openeye Name: [1-[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-4-piperidyl]methanol CAS Name: [1-[(3S)-1-[[3-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]-4-piperidinyl]methanol IUPAC Name: [1-[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Traditional Name: [1-[(3S)-1-[3-(methylthio)benzyl]piperidin-1-ium-3-yl]-4-piperidyl]methanol Formula: C19H31N2OS+ MolecularWeight: 335.52724

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCCC(C2)N3CCC(CC3)CO

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)N3CCC(CC3)CO

InChI

InChI=1S/C19H30N2OS/c1-23-19-6-2-4-17(12-19)13-20-9-3-5-18(14-20)21-10-7-16(15-22)8-11-21/h2,4,6,12,16,18,22H,3,5,7-11,13-15H2,1H3/p+1/t18-/m0/s1