methyl 1-(dimethylcarbamoyl)-4-(4-ethanoylphenyl)carbonyl-indol-1-ium-1-carboxylate

Systemtic Name: methyl 1-(dimethylcarbamoyl)-4-(4-ethanoylphenyl)carbonyl-indol-1-ium-1-carboxylate Openeye Name: methyl 4-(4-acetylbenzoyl)-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate CAS Name: 4-[(4-acetylphenyl)-oxomethyl]-1-[dimethylamino(oxo)methyl]-1-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-(4-acetylbenzoyl)-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate Traditional Name: 4-(4-acetylbenzoyl)-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylic acid methyl ester Formula: C22H21N2O5+ MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N2O5/c1-14(25)15-8-10-16(11-9-15)20(26)18-6-5-7-19-17(18)12-13-24(19,22(28)29-4)21(27)23(2)3/h5-13H,1-4H3/q+1