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

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(4-methoxynaphthalen-1-yl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(4-methoxy-1-naphthyl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-[(4-methoxy-1-naphthalenyl)methyl]-N,N-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(4-methoxynaphthalen-1-yl)methyl]-N,N-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-[(4-methoxy-1-naphthyl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(C[NH+]1CC2=CC=C(C3=CC=CC=C23)OC)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC=C(C3=CC=CC=C23)OC)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H28N4O2S/c1-29(2)25(31)23-14-18(33-26-27-21-10-6-7-11-22(21)28-26)16-30(23)15-17-12-13-24(32-3)20-9-5-4-8-19(17)20/h4-13,18,23H,14-16H2,1-3H3,(H,27,28)/p+1/t18-,23+/m1/s1