ethyl 1-butyl-6-propyl-benzimidazol-1-ium-1-carboxylate

Systemtic Name: ethyl 1-butyl-6-propyl-benzimidazol-1-ium-1-carboxylate Openeye Name: ethyl 1-butyl-6-propyl-benzimidazol-1-ium-1-carboxylate CAS Name: 1-butyl-6-propyl-1-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-6-propylbenzimidazol-1-ium-1-carboxylate Traditional Name: 1-butyl-6-propyl-benzimidazol-1-ium-1-carboxylic acid ethyl ester Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N2O2/c1-4-7-11-19(17(20)21-6-3)13-18-15-10-9-14(8-5-2)12-16(15)19/h9-10,12-13H,4-8,11H2,1-3H3/q+1