ethyl 3,5-dimethylpyrido[1,2-a]benzimidazol-10-ium-4-carboxylate perchlorate

Systemtic Name: ethyl 3,5-dimethylpyrido[1,2-a]benzimidazol-10-ium-4-carboxylate perchlorate Openeye Name: ethyl 3,5-dimethylpyrido[1,2-a]benzimidazol-10-ium-4-carboxylate perchlorate CAS Name: 3,5-dimethyl-4-pyrido[1,2-a]benzimidazol-10-iumcarboxylic acid ethyl ester perchlorate IUPAC Name: ethyl 3,5-dimethylpyrido[1,2-a]benzimidazol-10-ium-4-carboxylate perchlorate Traditional Name: 3,5-dimethylpyrido[1,2-a]benzimidazol-10-ium-4-carboxylic acid ethyl ester perchlorate Formula: C16H17ClN2O6 MolecularWeight: 368.76898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C[N+]2=C1N(C3=CC=CC=C32)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(C=C[N+]2=C1N(C3=CC=CC=C32)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H17N2O2.ClHO4/c1-4-20-16(19)14-11(2)9-10-18-13-8-6-5-7-12(13)17(3)15(14)18;2-1(3,4)5/h5-10H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1