methyl 7-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-3-methyl-1-prop-2-enyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: methyl 7-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-3-methyl-1-prop-2-enyl-benzimidazol-1-ium-5-carboxylate Openeye Name: methyl 1-allyl-7-fluoro-6-(2-fluoro-4-iodo-anilino)-3-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 7-fluoro-6-(2-fluoro-4-iodoanilino)-3-methyl-1-prop-2-enyl-5-benzimidazol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-fluoro-6-(2-fluoro-4-iodoanilino)-3-methyl-1-prop-2-enylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-allyl-7-fluoro-6-(2-fluoro-4-iodo-anilino)-3-methyl-benzimidazol-1-ium-5-carboxylic acid methyl ester Formula: C19H17F2IN3O2+ MolecularWeight: 484.258456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)I)F)C(=O)OC)CC=C

Isomeric SMILES

CN1C=[N+](C2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)I)F)C(=O)OC)CC=C

InChI

InChI=1S/C19H16F2IN3O2/c1-4-7-25-10-24(2)15-9-12(19(26)27-3)17(16(21)18(15)25)23-14-6-5-11(22)8-13(14)20/h4-6,8-10H,1,7H2,2-3H3/p+1