N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-keto-3H-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C19H21N6O4+ MolecularWeight: 397.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H20N6O4/c1-12-10-15(23-29-12)20-16(26)11-24-6-8-25(9-7-24)19(28)17-13-4-2-3-5-14(13)18(27)22-21-17/h2-5,10H,6-9,11H2,1H3,(H,22,27)(H,20,23,26)/p+1