methyl 2,4-dimethyl-5-[(2S)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(4-benzoylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(4-benzoyl-1-pyridin-1-iumyl)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(4-benzoylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(4-benzoylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H23N2O4+ MolecularWeight: 391.43972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4/c1-14-19(23(28)29-4)15(2)24-20(14)21(26)16(3)25-12-10-18(11-13-25)22(27)17-8-6-5-7-9-17/h5-13,16H,1-4H3/p+1/t16-/m0/s1