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

Systemtic Name: ethyl 5-[(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[N+]2=CC=CC(=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[N+]2=CC=CC(=C2C)C)C

InChI

InChI=1S/C19H24N2O3/c1-7-24-19(23)16-12(3)17(20-13(16)4)18(22)15(6)21-10-8-9-11(2)14(21)5/h8-10,15H,7H2,1-6H3/p+1/t15-/m0/s1