(2S,4R)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(2-hydroxy-4-methoxy-phenyl)methyl]-N-isopropyl-4-(4-methoxyphenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)thio]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-(2-hydroxy-4-methoxy-benzyl)-N-isopropyl-4-[(4-methoxyphenyl)thio]pyrrolidin-1-ium-2-carboxamide Formula: C23H31N2O4S+ MolecularWeight: 431.56824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=C(C=C(C=C2)OC)O)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1CC2=C(C=C(C=C2)OC)O)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H30N2O4S/c1-15(2)24-23(27)21-12-20(30-19-9-7-17(28-3)8-10-19)14-25(21)13-16-5-6-18(29-4)11-22(16)26/h5-11,15,20-21,26H,12-14H2,1-4H3,(H,24,27)/p+1/t20-,21+/m1/s1