4-(2-methyl-3H-benzimidazol-1-ium-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-methyl-3H-benzimidazol-1-ium-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methyl-3H-benzimidazol-1-ium-1-yl)-4-oxo-butanoic acid CAS Name: 4-(2-methyl-3H-benzimidazol-1-ium-1-yl)-4-oxobutanoic acid IUPAC Name: 4-(2-methyl-3H-benzimidazol-1-ium-1-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methyl-3H-benzimidazol-1-ium-1-yl)butyric acid Formula: C12H13N2O3+ MolecularWeight: 233.24322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1)C(=O)CCC(=O)O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1)C(=O)CCC(=O)O

InChI

InChI=1S/C12H12N2O3/c1-8-13-9-4-2-3-5-10(9)14(8)11(15)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,16,17)/p+1