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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(4-benzylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(4-benzylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(4-benzylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H27N2O3+ MolecularWeight: 391.48278

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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)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[N+]2=CC=C(C=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H26N2O3/c1-5-29-24(28)21-16(2)22(25-17(21)3)23(27)18(4)26-13-11-20(12-14-26)15-19-9-7-6-8-10-19/h6-14,18H,5,15H2,1-4H3/p+1/t18-/m0/s1