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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]-[3-(methylthio)propyl]ammonium Formula: C20H36N2O4S+2 MolecularWeight: 400.57584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O4S/c1-25-20-12-16(13-21-8-3-11-27-2)4-5-19(20)26-15-18(24)14-22-9-6-17(23)7-10-22/h4-5,12,17-18,21,23-24H,3,6-11,13-15H2,1-2H3/p+2/t18-/m1/s1