(2S,4R)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N-propan-2-yl-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N-propan-2-yl-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-N-isopropyl-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N-propan-2-yl-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N-propan-2-yl-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-(4-hydroxy-3,5-dimethoxy-benzyl)-N-isopropyl-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=CC(=C(C(=C2)OC)O)OC)SC3=CC=CC=N3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC(=C(C(=C2)OC)O)OC)SC3=CC=CC=N3

InChI

InChI=1S/C22H29N3O4S/c1-14(2)24-22(27)17-11-16(30-20-7-5-6-8-23-20)13-25(17)12-15-9-18(28-3)21(26)19(10-15)29-4/h5-10,14,16-17,26H,11-13H2,1-4H3,(H,24,27)/p+1/t16-,17+/m1/s1