(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(1-benzothiophen-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(1-benzothiophen-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(benzothiophen-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-(1-benzothiophen-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(1-benzothiophen-2-ylmethyl)-1-(cyclohexylmethyl)-N-methylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-(benzothiophen-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyl-pyrrolidin-1-ium-2-carboxamide Formula: C29H35N4OS2+ MolecularWeight: 519.7444

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2S1)C(=O)C3CC(C[NH+]3CC4CCCCC4)SC5=NC6=CC=CC=C6N5

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2S1)C(=O)[C@@H]3C[C@H](C[NH+]3CC4CCCCC4)SC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H34N4OS2/c1-32(18-22-15-21-11-5-8-14-27(21)35-22)28(34)26-16-23(19-33(26)17-20-9-3-2-4-10-20)36-29-30-24-12-6-7-13-25(24)31-29/h5-8,11-15,20,23,26H,2-4,9-10,16-19H2,1H3,(H,30,31)/p+1/t23-,26+/m1/s1