[2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C23H24N2O4/c1-15(2)18-5-7-20(8-6-18)25-16(3)13-21(17(25)4)22(26)14-29-23(27)19-9-11-24(28)12-10-19/h5-13,15H,14H2,1-4H3