N-(3-methoxypropyl)-2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxypropyl)-2-[4-(3-methyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxypropyl)-2-[4-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxypropyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-keto-3-methyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C20H28N5O4+ MolecularWeight: 402.46742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NCCCOC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NCCCOC

InChI

InChI=1S/C20H27N5O4/c1-23-19(27)16-7-4-3-6-15(16)18(22-23)20(28)25-11-9-24(10-12-25)14-17(26)21-8-5-13-29-2/h3-4,6-7H,5,8-14H2,1-2H3,(H,21,26)/p+1