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

Systemtic Name: 3-methylsulfanylpropyl-[[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-(3-methylsulfanylpropyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzyl]-[3-(methylthio)propyl]ammonium Formula: C19H34N2O3S+2 MolecularWeight: 370.54986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3S/c1-25-11-3-8-20-13-16-4-2-5-19(12-16)24-15-18(23)14-21-9-6-17(22)7-10-21/h2,4-5,12,17-18,20,22-23H,3,6-11,13-15H2,1H3/p+2/t18-/m1/s1