ethyl 8-chloranyl-5-ethyl-3-methyl-1,2-dihydropyrido[1,2-a]benzimidazol-5-ium-4-carboxylate perchlorate

Systemtic Name: ethyl 8-chloranyl-5-ethyl-3-methyl-1,2-dihydropyrido[1,2-a]benzimidazol-5-ium-4-carboxylate perchlorate Openeye Name: ethyl 8-chloro-5-ethyl-3-methyl-1,2-dihydropyrido[1,2-a]benzimidazol-5-ium-4-carboxylate perchlorate CAS Name: 8-chloro-5-ethyl-3-methyl-1,2-dihydropyrido[1,2-a]benzimidazol-5-ium-4-carboxylic acid ethyl ester perchlorate IUPAC Name: ethyl 8-chloro-5-ethyl-3-methyl-1,2-dihydropyrido[1,2-a]benzimidazol-5-ium-4-carboxylate perchlorate Traditional Name: 8-chloro-5-ethyl-3-methyl-1,2-dihydropyrido[1,2-a]benzimidazol-5-ium-4-carboxylic acid ethyl ester perchlorate Formula: C17H20Cl2N2O6 MolecularWeight: 419.2565

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=C(CCN2C3=C1C=CC(=C3)Cl)C)C(=O)OCC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C2C(=C(CCN2C3=C1C=CC(=C3)Cl)C)C(=O)OCC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H20ClN2O2.ClHO4/c1-4-19-13-7-6-12(18)10-14(13)20-9-8-11(3)15(16(19)20)17(21)22-5-2;2-1(3,4)5/h6-7,10H,4-5,8-9H2,1-3H3;(H,2,3,4,5)/q+1;/p-1