3-butanoyl-3-butyl-6-methyl-benzimidazol-3-ium-5-carboxylic acid

Systemtic Name: 3-butanoyl-3-butyl-6-methyl-benzimidazol-3-ium-5-carboxylic acid Openeye Name: 3-butanoyl-3-butyl-6-methyl-benzimidazol-3-ium-5-carboxylic acid CAS Name: 3-butyl-6-methyl-3-(1-oxobutyl)-5-benzimidazol-3-iumcarboxylic acid IUPAC Name: 3-butanoyl-3-butyl-6-methylbenzimidazol-3-ium-5-carboxylic acid Traditional Name: 3-butyl-3-butyryl-6-methyl-benzimidazol-3-ium-5-carboxylic acid Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-4-6-8-19(16(20)7-5-2)11-18-14-9-12(3)13(17(21)22)10-15(14)19/h9-11H,4-8H2,1-3H3/p+1