ethyl 2-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(4-keto-3H-phthalazin-1-yl)methyl]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C[N+]1=CC=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17N3O3/c1-2-24-17(22)12-21-9-7-13(8-10-21)11-16-14-5-3-4-6-15(14)18(23)20-19-16/h3-10H,2,11-12H2,1H3/p+1