[2-acetyloxy-4-[2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl]phenyl] ester Formula: C19H21N2O5+ MolecularWeight: 357.38044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CCNC(=O)C2=C[N+](=CC=C2)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CCNC(=O)C2=C[N+](=CC=C2)C)OC(=O)C

InChI

InChI=1S/C19H20N2O5/c1-13(22)25-17-7-6-15(11-18(17)26-14(2)23)8-9-20-19(24)16-5-4-10-21(3)12-16/h4-7,10-12H,8-9H2,1-3H3/p+1