3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(pyridin-1-ium-2-ylmethylamino)ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(pyridin-1-ium-2-ylmethylamino)ethyl]phthalazine-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-1-ium-2-ylmethylamino)ethyl]phthalazine-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(2-pyridin-1-iumylmethylamino)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-1-ium-2-ylmethylamino)ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-keto-2-(pyridin-1-ium-2-ylmethylamino)ethyl]-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C24H22N5O4+ MolecularWeight: 444.46258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC=CC=[NH+]4

InChI

InChI=1S/C24H21N5O4/c1-33-18-11-9-17(10-12-18)29-24(32)20-8-3-2-7-19(20)22(28-29)23(31)27-15-21(30)26-14-16-6-4-5-13-25-16/h2-13H,14-15H2,1H3,(H,26,30)(H,27,31)/p+1