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

Systemtic Name: ethyl 3-(2-ethoxyethyl)-1-ethyl-2-[(E)-2-phenylazanylethenyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 2-[(E)-2-anilinovinyl]-3-(2-ethoxyethyl)-1-ethyl-benzimidazol-1-ium-5-carboxylate CAS Name: 2-[(E)-2-anilinoethenyl]-3-(2-ethoxyethyl)-1-ethyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-anilinoethenyl]-3-(2-ethoxyethyl)-1-ethylbenzimidazol-1-ium-5-carboxylate Traditional Name: 2-[(E)-2-anilinovinyl]-3-(2-ethoxyethyl)-1-ethyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H30N3O3+ MolecularWeight: 408.5133

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/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/p+1