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

Systemtic Name: 2-methylsulfanylethyl-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[2-(methylthio)ethyl]ammonium Formula: C18H32N2O2S+2 MolecularWeight: 340.52388

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Descriptors Computed from Structure

Canonical SMILES:

CSCC[NH2+]CC1=CC=C(C=C1)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CSCC[NH2+]CC1=CC=C(C=C1)OC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C18H30N2O2S/c1-23-12-9-19-13-16-5-7-18(8-6-16)22-15-17(21)14-20-10-3-2-4-11-20/h5-8,17,19,21H,2-4,9-15H2,1H3/p+2/t17-/m0/s1