2-methylsulfanylethyl-[[3-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium

Systemtic Name: 2-methylsulfanylethyl-[[3-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzyl]-[2-(methylthio)ethyl]ammonium Formula: C18H32N2O3S+2 MolecularWeight: 356.52328

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Descriptors Computed from Structure

Canonical SMILES:

CSCC[NH2+]CC1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)O)O

Isomeric SMILES

CSCC[NH2+]CC1=CC(=CC=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O

InChI

InChI=1S/C18H30N2O3S/c1-24-10-7-19-12-15-3-2-4-18(11-15)23-14-17(22)13-20-8-5-16(21)6-9-20/h2-4,11,16-17,19,21-22H,5-10,12-14H2,1H3/p+2/t17-/m1/s1