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

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[2-(methylthio)ethyl]ammonium Formula: C18H32N2O3S+2 MolecularWeight: 356.52328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CCSC)OCC(C[NH+]2CCCC2)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CCSC)OC[C@@H](C[NH+]2CCCC2)O

InChI

InChI=1S/C18H30N2O3S/c1-22-17-6-5-15(12-19-7-10-24-2)18(11-17)23-14-16(21)13-20-8-3-4-9-20/h5-6,11,16,19,21H,3-4,7-10,12-14H2,1-2H3/p+2/t16-/m1/s1