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

Systemtic Name: ethyl 3-methyl-5-phenyl-1,2-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carboxylate perchlorate Openeye Name: ethyl 3-methyl-5-phenyl-1,2-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carboxylate perchlorate CAS Name: 3-methyl-5-phenyl-1,2-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carboxylic acid ethyl ester perchlorate IUPAC Name: ethyl 3-methyl-5-phenyl-1,2-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carboxylate perchlorate Traditional Name: 3-methyl-5-phenyl-1,2-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carboxylic acid ethyl ester perchlorate Formula: C21H21ClN2O6 MolecularWeight: 432.85424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CC[N+]2=C1N(C3=CC=CC=C32)C4=CC=CC=C4)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(CC[N+]2=C1N(C3=CC=CC=C32)C4=CC=CC=C4)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H21N2O2.ClHO4/c1-3-25-21(24)19-15(2)13-14-22-17-11-7-8-12-18(17)23(20(19)22)16-9-5-4-6-10-16;2-1(3,4)5/h4-12H,3,13-14H2,1-2H3;(H,2,3,4,5)/q+1;/p-1