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

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[4-(methylthio)benzyl]ammonium Formula: C23H34N2O3S+2 MolecularWeight: 418.59266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CC2=CC=C(C=C2)SC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CC2=CC=C(C=C2)SC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H32N2O3S/c1-27-21-8-7-19(15-24-14-18-5-9-22(29-2)10-6-18)23(13-21)28-17-20(26)16-25-11-3-4-12-25/h5-10,13,20,24,26H,3-4,11-12,14-17H2,1-2H3/p+2/t20-/m1/s1