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

Systemtic Name: N,N-dimethyl-2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(3-methyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-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,N-dimethyl-acetamide Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c1-20(2)15(24)12-22-8-10-23(11-9-22)18(26)16-13-6-4-5-7-14(13)17(25)21(3)19-16/h4-7H,8-12H2,1-3H3/p+1