(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-methoxyphenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-methoxyphenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-isopropyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-[(3-methoxyphenyl)methyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-methoxyphenyl)methyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-isopropyl-1-m-anisyl-pyrrolidin-1-ium-2-carboxamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=CC(=CC=C2)OC)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC(=CC=C2)OC)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H28N4O2S/c1-15(2)24-22(28)21-12-18(30-23-25-19-9-4-5-10-20(19)26-23)14-27(21)13-16-7-6-8-17(11-16)29-3/h4-11,15,18,21H,12-14H2,1-3H3,(H,24,28)(H,25,26)/p+1/t18-,21+/m1/s1