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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(3-phenylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-14-19(22(26)27-4)15(2)23-20(14)21(25)16(3)24-12-8-11-18(13-24)17-9-6-5-7-10-17/h5-13,16H,1-4H3/p+1/t16-/m0/s1