(2S,4R)-N-cyclopropyl-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-cyclopropyl-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-cyclopropyl-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)thio]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-cyclopropyl-1-(3-hydroxy-4-methoxy-benzyl)-4-[(4-methoxyphenyl)thio]pyrrolidin-1-ium-2-carboxamide Formula: C23H29N2O4S+ MolecularWeight: 429.55236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2CC([NH+](C2)CC3=CC(=C(C=C3)OC)O)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)S[C@@H]2C[C@H]([NH+](C2)CC3=CC(=C(C=C3)OC)O)C(=O)NC4CC4

InChI

InChI=1S/C23H28N2O4S/c1-28-17-6-8-18(9-7-17)30-19-12-20(23(27)24-16-4-5-16)25(14-19)13-15-3-10-22(29-2)21(26)11-15/h3,6-11,16,19-20,26H,4-5,12-14H2,1-2H3,(H,24,27)/p+1/t19-,20+/m1/s1