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

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(naphthalen-2-ylmethyl)-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-isopropyl-1-(2-naphthylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-(2-naphthalenylmethyl)-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-N-isopropyl-1-(2-naphthylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C26H29N4OS+ MolecularWeight: 445.59966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=CC3=CC=CC=C3C=C2)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC3=CC=CC=C3C=C2)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H28N4OS/c1-17(2)27-25(31)24-14-21(32-26-28-22-9-5-6-10-23(22)29-26)16-30(24)15-18-11-12-19-7-3-4-8-20(19)13-18/h3-13,17,21,24H,14-16H2,1-2H3,(H,27,31)(H,28,29)/p+1/t21-,24-/m0/s1