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

Systemtic Name: (2S,4R)-N-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CC(CC3C(=O)NC4CC4)SC5=CC=CC=N5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3C[C@@H](C[C@H]3C(=O)NC4CC4)SC5=CC=CC=N5

InChI

InChI=1S/C22H25N3O4S/c1-27-18-8-14(9-19-21(18)29-13-28-19)11-25-12-16(30-20-4-2-3-7-23-20)10-17(25)22(26)24-15-5-6-15/h2-4,7-9,15-17H,5-6,10-13H2,1H3,(H,24,26)/p+1/t16-,17+/m1/s1