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

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-2-ylmethyl)-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-2-ylmethyl)-N-isopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-(9H-fluoren-2-ylmethyl)-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-2-ylmethyl)-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-(9H-fluoren-2-ylmethyl)-N-isopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C29H31N4OS+ MolecularWeight: 483.64764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=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/C29H30N4OS/c1-18(2)30-28(34)27-15-22(35-29-31-25-9-5-6-10-26(25)32-29)17-33(27)16-19-11-12-24-21(13-19)14-20-7-3-4-8-23(20)24/h3-13,18,22,27H,14-17H2,1-2H3,(H,30,34)(H,31,32)/p+1/t22-,27-/m0/s1