1-butyl-6-propyl-benzimidazol-1-ium-1-carboxylic acid

Systemtic Name: 1-butyl-6-propyl-benzimidazol-1-ium-1-carboxylic acid Openeye Name: 1-butyl-6-propyl-benzimidazol-1-ium-1-carboxylic acid CAS Name: 1-butyl-6-propyl-1-benzimidazol-1-iumcarboxylic acid IUPAC Name: 1-butyl-6-propylbenzimidazol-1-ium-1-carboxylic acid Traditional Name: 1-butyl-6-propyl-benzimidazol-1-ium-1-carboxylic acid Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2/c1-3-5-9-17(15(18)19)11-16-13-8-7-12(6-4-2)10-14(13)17/h7-8,10-11H,3-6,9H2,1-2H3/p+1