4-(2,3-dimethylbenzimidazol-3-ium-1-yl)butanoic acid

Systemtic Name: 4-(2,3-dimethylbenzimidazol-3-ium-1-yl)butanoic acid Openeye Name: 4-(2,3-dimethylbenzimidazol-3-ium-1-yl)butanoic acid CAS Name: 4-(2,3-dimethyl-1-benzimidazol-3-iumyl)butanoic acid IUPAC Name: 4-(2,3-dimethylbenzimidazol-3-ium-1-yl)butanoic acid Traditional Name: 4-(2,3-dimethylbenzimidazol-3-ium-1-yl)butyric acid Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1CCCC(=O)O)C

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1CCCC(=O)O)C

InChI

InChI=1S/C13H16N2O2/c1-10-14(2)11-6-3-4-7-12(11)15(10)9-5-8-13(16)17/h3-4,6-7H,5,8-9H2,1-2H3/p+1