1-butyl-5-ethanoyl-benzimidazol-1-ium-1-carboxylic acid

Systemtic Name: 1-butyl-5-ethanoyl-benzimidazol-1-ium-1-carboxylic acid Openeye Name: 5-acetyl-1-butyl-benzimidazol-1-ium-1-carboxylic acid CAS Name: 5-acetyl-1-butyl-1-benzimidazol-1-iumcarboxylic acid IUPAC Name: 5-acetyl-1-butylbenzimidazol-1-ium-1-carboxylic acid Traditional Name: 5-acetyl-1-butyl-benzimidazol-1-ium-1-carboxylic acid Formula: C14H17N2O3+ MolecularWeight: 261.29638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=NC2=C1C=CC(=C2)C(=O)C)C(=O)O

Isomeric SMILES

CCCC[N+]1(C=NC2=C1C=CC(=C2)C(=O)C)C(=O)O

InChI

InChI=1S/C14H16N2O3/c1-3-4-7-16(14(18)19)9-15-12-8-11(10(2)17)5-6-13(12)16/h5-6,8-9H,3-4,7H2,1-2H3/p+1