(2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-2-ylmethyl)-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-2-ylmethyl)-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-2-ylmethyl)-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-(9H-fluoren-2-ylmethyl)-N,N-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-2-ylmethyl)-N,N-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-(9H-fluoren-2-ylmethyl)-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C28H29N4OS+ MolecularWeight: 469.62106

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(C[NH+]1CC2=CC3=C(C=C2)C4=CC=CC=C4C3)SC5=NC6=CC=CC=C6N5

Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC3=C(C=C2)C4=CC=CC=C4C3)SC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H28N4OS/c1-31(2)27(33)26-15-21(34-28-29-24-9-5-6-10-25(24)30-28)17-32(26)16-18-11-12-23-20(13-18)14-19-7-3-4-8-22(19)23/h3-13,21,26H,14-17H2,1-2H3,(H,29,30)/p+1/t21-,26-/m0/s1