methyl 1-(dimethylcarbamoyl)-4-(3-fluoranyl-4-methyl-phenyl)carbonyl-indol-1-ium-1-carboxylate

Systemtic Name: methyl 1-(dimethylcarbamoyl)-4-(3-fluoranyl-4-methyl-phenyl)carbonyl-indol-1-ium-1-carboxylate Openeye Name: methyl 1-(dimethylcarbamoyl)-4-(3-fluoro-4-methyl-benzoyl)indol-1-ium-1-carboxylate CAS Name: 1-[dimethylamino(oxo)methyl]-4-[(3-fluoro-4-methylphenyl)-oxomethyl]-1-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(dimethylcarbamoyl)-4-(3-fluoro-4-methylbenzoyl)indol-1-ium-1-carboxylate Traditional Name: 1-(dimethylcarbamoyl)-4-(3-fluoro-4-methyl-benzoyl)indol-1-ium-1-carboxylic acid methyl ester Formula: C21H20FN2O4+ MolecularWeight: 383.392903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=C3C=C[N+](C3=CC=C2)(C(=O)N(C)C)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=C3C=C[N+](C3=CC=C2)(C(=O)N(C)C)C(=O)OC)F

InChI

InChI=1S/C21H20FN2O4/c1-13-8-9-14(12-17(13)22)19(25)16-6-5-7-18-15(16)10-11-24(18,21(27)28-4)20(26)23(2)3/h5-12H,1-4H3/q+1