3-ethyl-2-methyl-N,1-diphenyl-benzimidazol-3-ium-5-carboxamide iodide

Systemtic Name: 3-ethyl-2-methyl-N,1-diphenyl-benzimidazol-3-ium-5-carboxamide iodide Openeye Name: 3-ethyl-2-methyl-N,1-diphenyl-benzimidazol-3-ium-5-carboxamide iodide CAS Name: 3-ethyl-2-methyl-N,1-diphenyl-5-benzimidazol-3-iumcarboxamide iodide IUPAC Name: 3-ethyl-2-methyl-N,1-diphenylbenzimidazol-3-ium-5-carboxamide iodide Traditional Name: 3-ethyl-2-methyl-N,1-diphenyl-benzimidazol-3-ium-5-carboxamide iodide Formula: C23H22IN3O MolecularWeight: 483.34475

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C.[I-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C23H21N3O.HI/c1-3-25-17(2)26(20-12-8-5-9-13-20)21-15-14-18(16-22(21)25)23(27)24-19-10-6-4-7-11-19;/h4-16H,3H2,1-2H3;1H