2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate iodide

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate iodide CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate iodide Traditional Name: 2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)acetic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C24H26IN3O4 MolecularWeight: 547.38541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OCCNC(=O)C3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OCCNC(=O)C3=C[N+](=CC=C3)C.[I-]

InChI

InChI=1S/C24H25N3O4.HI/c1-17-6-8-18(9-7-17)23(29)21-11-10-20(27(21)3)15-22(28)31-14-12-25-24(30)19-5-4-13-26(2)16-19;/h4-11,13,16H,12,14-15H2,1-3H3;1H