ethyl 1-ethyl-2-methyl-3-(phenylmethyl)benzimidazol-1-ium-5-carboxylate perchlorate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(phenylmethyl)benzimidazol-1-ium-5-carboxylate perchlorate Openeye Name: ethyl 3-benzyl-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate perchlorate CAS Name: 1-ethyl-2-methyl-3-(phenylmethyl)-5-benzimidazol-1-iumcarboxylic acid ethyl ester perchlorate IUPAC Name: ethyl 3-benzyl-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate perchlorate Traditional Name: 3-benzyl-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester perchlorate Formula: C20H23ClN2O6 MolecularWeight: 422.85942

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H23N2O2.ClHO4/c1-4-21-15(3)22(14-16-9-7-6-8-10-16)19-13-17(11-12-18(19)21)20(23)24-5-2;2-1(3,4)5/h6-13H,4-5,14H2,1-3H3;(H,2,3,4,5)/q+1;/p-1