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

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-hydroxyphenyl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-hydroxyphenyl)methyl]-N-isopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-[(3-hydroxyphenyl)methyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(3-hydroxyphenyl)methyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(3-hydroxybenzyl)-N-isopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=CC(=CC=C2)O)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC(=CC=C2)O)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O2S/c1-14(2)23-21(28)20-11-17(13-26(20)12-15-6-5-7-16(27)10-15)29-22-24-18-8-3-4-9-19(18)25-22/h3-10,14,17,20,27H,11-13H2,1-2H3,(H,23,28)(H,24,25)/p+1/t17-,20+/m1/s1