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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H25N2O4+ MolecularWeight: 405.4663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H24N2O4/c1-5-30-24(29)20-15(2)21(25-16(20)3)22(27)17(4)26-13-11-19(12-14-26)23(28)18-9-7-6-8-10-18/h6-14,17H,5H2,1-4H3/p+1/t17-/m0/s1