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

Systemtic Name: ethyl 3-(4-hydroxyphenyl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate Openeye Name: ethyl 3-(4-hydroxyphenyl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-hydroxyphenyl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propionic acid ethyl ester Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-3-24-18(23)16(11-13-6-8-15(21)9-7-13)19-17(22)14-5-4-10-20(2)12-14/h4-10,12,16H,3,11H2,1-2H3,(H-,19,21,22)/p+1