N-[(1S)-3-methylsulfanyl-1-[1-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]benzimidazol-2-yl]propyl]benzamide

Systemtic Name: N-[(1S)-3-methylsulfanyl-1-[1-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]benzimidazol-2-yl]propyl]benzamide Openeye Name: N-[(1S)-1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(1S)-1-[1-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-2-benzimidazolyl]-3-(methylthio)propyl]benzamide IUPAC Name: N-[(1S)-1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide Traditional Name: N-[(1S)-1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]benzimidazol-2-yl]-3-(methylthio)propyl]benzamide Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CC(C[NH+]3CCCC3)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1C[C@@H](C[NH+]3CCCC3)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O2S/c1-32-16-13-22(27-25(31)19-9-3-2-4-10-19)24-26-21-11-5-6-12-23(21)29(24)18-20(30)17-28-14-7-8-15-28/h2-6,9-12,20,22,30H,7-8,13-18H2,1H3,(H,27,31)/p+1/t20-,22+/m1/s1