(2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-phenoxyphenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-phenoxyphenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-isopropyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-[(3-phenoxyphenyl)methyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-phenoxyphenyl)methyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-N-isopropyl-1-(3-phenoxybenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C28H31N4O2S+ MolecularWeight: 487.63634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H30N4O2S/c1-19(2)29-27(33)26-16-23(35-28-30-24-13-6-7-14-25(24)31-28)18-32(26)17-20-9-8-12-22(15-20)34-21-10-4-3-5-11-21/h3-15,19,23,26H,16-18H2,1-2H3,(H,29,33)(H,30,31)/p+1/t23-,26-/m0/s1