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

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-[2-(methylthio)ethyl]ammonium Formula: C19H34N2O4S+2 MolecularWeight: 386.54926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH2+]CCSC

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH2+]CCSC

InChI

InChI=1S/C19H32N2O4S/c1-24-18-3-4-19(15(11-18)12-20-7-10-26-2)25-14-17(23)13-21-8-5-16(22)6-9-21/h3-4,11,16-17,20,22-23H,5-10,12-14H2,1-2H3/p+2/t17-/m1/s1