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

Systemtic Name: 3-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]propanoate Openeye Name: 3-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]propanoate CAS Name: 3-[2-[(1S)-1-ammonio-3-(methylthio)propyl]-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-[(1S)-1-azaniumyl-3-methylsulfanylpropyl]benzimidazol-1-yl]propanoate Traditional Name: 3-[2-[(1S)-1-ammonio-3-(methylthio)propyl]benzimidazol-1-yl]propionate Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CCC(=O)[O-])[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CCC(=O)[O-])[NH3+]

InChI

InChI=1S/C14H19N3O2S/c1-20-9-7-10(15)14-16-11-4-2-3-5-12(11)17(14)8-6-13(18)19/h2-5,10H,6-9,15H2,1H3,(H,18,19)/t10-/m0/s1