ethyl 3-(2-ethoxyethyl)-1-ethyl-2-[(E)-2-phenylazanylethenyl]benzimidazol-1-ium-5-carboxylate iodide

Systemtic Name: ethyl 3-(2-ethoxyethyl)-1-ethyl-2-[(E)-2-phenylazanylethenyl]benzimidazol-1-ium-5-carboxylate iodide Openeye Name: ethyl 2-[(E)-2-anilinovinyl]-3-(2-ethoxyethyl)-1-ethyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 2-[(E)-2-anilinoethenyl]-3-(2-ethoxyethyl)-1-ethyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 2-[(E)-2-anilinoethenyl]-3-(2-ethoxyethyl)-1-ethylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 2-[(E)-2-anilinovinyl]-3-(2-ethoxyethyl)-1-ethyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester iodide Formula: C24H30IN3O3 MolecularWeight: 535.41777

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOCC)C=CNC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOCC)/C=C/NC3=CC=CC=C3.[I-]

InChI

InChI=1S/C24H29N3O3.HI/c1-4-26-21-13-12-19(24(28)30-6-3)18-22(21)27(16-17-29-5-2)23(26)14-15-25-20-10-8-7-9-11-20;/h7-15,18H,4-6,16-17H2,1-3H3;1H