dimethyl-[2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethyl]azanium Openeye Name: dimethyl-[2-[4-(3-methyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]ethyl]ammonium CAS Name: dimethyl-[2-[4-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-ium-1-yl]ethyl]azanium Traditional Name: 2-[4-(4-keto-3-methyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium Formula: C18H27N5O2+2 MolecularWeight: 345.43928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2/c1-20(2)8-9-22-10-12-23(13-11-22)18(25)16-14-6-4-5-7-15(14)17(24)21(3)19-16/h4-7H,8-13H2,1-3H3/p+2