(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-isopropyl-N-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-propan-2-yl-N-(3-pyridinylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-isopropyl-N-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(CC1C(=O)NCC2=CN=CC=C2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)[NH+]1C[C@@H](C[C@H]1C(=O)NCC2=CN=CC=C2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H25N5OS/c1-14(2)26-13-16(28-21-24-17-7-3-4-8-18(17)25-21)10-19(26)20(27)23-12-15-6-5-9-22-11-15/h3-9,11,14,16,19H,10,12-13H2,1-2H3,(H,23,27)(H,24,25)/p+1/t16-,19+/m1/s1