2-[[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]carbonylamino]ethyl benzoate

Systemtic Name: 2-[[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]carbonylamino]ethyl benzoate Openeye Name: 2-[[1-(2-ethoxy-2-oxo-ethyl)pyridin-1-ium-3-carbonyl]amino]ethyl benzoate CAS Name: benzoic acid 2-[[[1-(2-ethoxy-2-oxoethyl)-3-pyridin-1-iumyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-3-carbonyl]amino]ethyl benzoate Traditional Name: benzoic acid 2-[[1-(2-ethoxy-2-keto-ethyl)pyridin-1-ium-3-carbonyl]amino]ethyl ester Formula: C19H21N2O5+ MolecularWeight: 357.38044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5/c1-2-25-17(22)14-21-11-6-9-16(13-21)18(23)20-10-12-26-19(24)15-7-4-3-5-8-15/h3-9,11,13H,2,10,12,14H2,1H3/p+1