(2S,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-propan-2-yl-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-propan-2-yl-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-isopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-propan-2-yl-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-propan-2-yl-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-isopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=CC3=C(C(=C2)OC)OCO3)SC4=CC=CC=N4

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC3=C(C(=C2)OC)OCO3)SC4=CC=CC=N4

InChI

InChI=1S/C22H27N3O4S/c1-14(2)24-22(26)17-10-16(30-20-6-4-5-7-23-20)12-25(17)11-15-8-18(27-3)21-19(9-15)28-13-29-21/h4-9,14,16-17H,10-13H2,1-3H3,(H,24,26)/p+1/t16-,17+/m1/s1