3-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]ethyl]phthalazin-1-olate Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C19H26N4O3/c1-14-7-11-22(12-8-14)10-4-9-20-17(24)13-23-19(26)16-6-3-2-5-15(16)18(25)21-23/h2-3,5-6,14H,4,7-13H2,1H3,(H,20,24)(H,21,25)