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

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(cyclohexylmethyl)-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(cyclohexylmethyl)-N-isopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(cyclohexylmethyl)-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(cyclohexylmethyl)-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(cyclohexylmethyl)-N-isopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2CCCCC2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1CC2CCCCC2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H32N4OS/c1-15(2)23-21(27)20-12-17(14-26(20)13-16-8-4-3-5-9-16)28-22-24-18-10-6-7-11-19(18)25-22/h6-7,10-11,15-17,20H,3-5,8-9,12-14H2,1-2H3,(H,23,27)(H,24,25)/p+1/t17-,20+/m1/s1