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

Systemtic Name: 3-methylsulfanylpropyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[3-(methylthio)propyl]ammonium Formula: C19H34N2O2S+2 MolecularWeight: 354.55046

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH2+]CC1=CC=CC=C1OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CSCCC[NH2+]CC1=CC=CC=C1OC[C@@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C19H32N2O2S/c1-24-13-7-10-20-14-17-8-3-4-9-19(17)23-16-18(22)15-21-11-5-2-6-12-21/h3-4,8-9,18,20,22H,2,5-7,10-16H2,1H3/p+2/t18-/m1/s1