5-(3H-benzimidazol-1-ium-1-yl)-5-oxidanylidene-pentanoate

Systemtic Name: 5-(3H-benzimidazol-1-ium-1-yl)-5-oxidanylidene-pentanoate Openeye Name: 5-(3H-benzimidazol-1-ium-1-yl)-5-oxo-pentanoate CAS Name: 5-(3H-benzimidazol-1-ium-1-yl)-5-oxopentanoate IUPAC Name: 5-(3H-benzimidazol-1-ium-1-yl)-5-oxopentanoate Traditional Name: 5-(3H-benzimidazol-1-ium-1-yl)-5-keto-valerate Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2C(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C12H12N2O3/c15-11(6-3-7-12(16)17)14-8-13-9-4-1-2-5-10(9)14/h1-2,4-5,8H,3,6-7H2,(H,16,17)