2-(3-methylimidazol-3-ium-1-yl)butanedioic acid

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)butanedioic acid Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)butanedioic acid CAS Name: 2-(3-methyl-1-imidazol-3-iumyl)butanedioic acid IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)butanedioic acid Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)succinic acid Formula: C8H11N2O4+ MolecularWeight: 199.18394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(CC(=O)O)C(=O)O

Isomeric SMILES

C[N+]1=CN(C=C1)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C8H10N2O4/c1-9-2-3-10(5-9)6(8(13)14)4-7(11)12/h2-3,5-6H,4H2,1H3,(H-,11,12,13,14)/p+1