ethyl 3-(4-acetyloxyphenyl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate

Systemtic Name: ethyl 3-(4-acetyloxyphenyl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate Openeye Name: ethyl 3-(4-acetoxyphenyl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate CAS Name: 3-(4-acetyloxyphenyl)-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-acetyloxyphenyl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate Traditional Name: 3-(4-acetoxyphenyl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propionic acid ethyl ester Formula: C20H23N2O5+ MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C)NC(=O)C2=C[N+](=CC=C2)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C)NC(=O)C2=C[N+](=CC=C2)C

InChI

InChI=1S/C20H22N2O5/c1-4-26-20(25)18(21-19(24)16-6-5-11-22(3)13-16)12-15-7-9-17(10-8-15)27-14(2)23/h5-11,13,18H,4,12H2,1-3H3/p+1