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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-[3-(methylthio)propyl]ammonium Formula: C19H34N2O3S+2 MolecularWeight: 370.54986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3S/c1-23-19-12-16(13-20-8-5-11-25-2)6-7-18(19)24-15-17(22)14-21-9-3-4-10-21/h6-7,12,17,20,22H,3-5,8-11,13-15H2,1-2H3/p+2/t17-/m1/s1