3-[[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]methyl]benzoate

Systemtic Name: 3-[[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]methyl]benzoate CAS Name: 3-[[2-[(1S)-1-ammonio-3-(methylthio)propyl]-1-benzimidazolyl]methyl]benzoate IUPAC Name: 3-[[2-[(1S)-1-azaniumyl-3-methylsulfanylpropyl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(1S)-1-ammonio-3-(methylthio)propyl]benzimidazol-1-yl]methyl]benzoate Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CC3=CC=CC(=C3)C(=O)[O-])[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CC3=CC=CC(=C3)C(=O)[O-])[NH3+]

InChI

InChI=1S/C19H21N3O2S/c1-25-10-9-15(20)18-21-16-7-2-3-8-17(16)22(18)12-13-5-4-6-14(11-13)19(23)24/h2-8,11,15H,9-10,12,20H2,1H3,(H,23,24)/t15-/m0/s1