[(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-[(3-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-[(3-methylsulfanylphenyl)methyl]azanium Openeye Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-[(3-methylsulfanylphenyl)methyl]ammonium CAS Name: [(3S,4S)-4-hydroxy-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-methyl-[[3-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-[(3-methylsulfanylphenyl)methyl]azanium Traditional Name: [(3S,4S)-4-hydroxy-1-p-anisoyl-pyrrolidin-3-yl]-methyl-[3-(methylthio)benzyl]ammonium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)SC)C2CN(CC2O)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)SC)[C@H]2CN(C[C@@H]2O)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-22(12-15-5-4-6-18(11-15)27-3)19-13-23(14-20(19)24)21(25)16-7-9-17(26-2)10-8-16/h4-11,19-20,24H,12-14H2,1-3H3/p+1/t19-,20-/m0/s1