ethyl 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylate iodide

Systemtic Name: ethyl 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylate iodide Openeye Name: ethyl 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylate iodide CAS Name: 3-ethyl-2-methyl-1-phenyl-5-benzimidazol-3-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium-5-carboxylate iodide Traditional Name: 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylic acid ethyl ester iodide Formula: C19H21IN2O2 MolecularWeight: 436.28671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N2O2.HI/c1-4-20-14(3)21(16-9-7-6-8-10-16)17-12-11-15(13-18(17)20)19(22)23-5-2;/h6-13H,4-5H2,1-3H3;1H/q+1;/p-1