5-propyl-1H-imidazol-3-ium-4-carboxylic acid

Systemtic Name: 5-propyl-1H-imidazol-3-ium-4-carboxylic acid Openeye Name: 5-propyl-1H-imidazol-3-ium-4-carboxylic acid CAS Name: 5-propyl-1H-imidazol-3-ium-4-carboxylic acid IUPAC Name: 5-propyl-1H-imidazol-3-ium-4-carboxylic acid Traditional Name: 5-propyl-1H-imidazol-3-ium-4-carboxylic acid Formula: C7H11N2O2+ MolecularWeight: 155.17444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([NH+]=CN1)C(=O)O

Isomeric SMILES

CCCC1=C([NH+]=CN1)C(=O)O

InChI

InChI=1S/C7H10N2O2/c1-2-3-5-6(7(10)11)9-4-8-5/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/p+1