ethyl 2-[4-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-[1-(2-ethoxy-2-oxo-ethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-[1-(2-ethoxy-2-oxoethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-[1-(2-ethoxy-2-keto-ethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C18H22N2O4+2 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-3-23-17(21)13-19-9-5-15(6-10-19)16-7-11-20(12-8-16)14-18(22)24-4-2/h5-12H,3-4,13-14H2,1-2H3/q+2