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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-phenylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-phenylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(3-phenyl-1-pyridin-1-iumyl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-phenylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(3-phenylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3/c1-5-28-23(27)20-15(2)21(24-16(20)3)22(26)17(4)25-13-9-12-19(14-25)18-10-7-6-8-11-18/h6-14,17H,5H2,1-4H3/p+1/t17-/m0/s1