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

Systemtic Name: dimethyl-[2-[4-[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylpiperazin-1-ium-1-yl]ethyl]azanium Openeye Name: 2-[4-(3-isobutyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[4-[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]-1-piperazin-1-iumyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[4-[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]piperazin-1-ium-1-yl]ethyl]azanium Traditional Name: 2-[4-(3-isobutyl-4-keto-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium Formula: C21H33N5O2+2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2/c1-16(2)15-26-20(27)18-8-6-5-7-17(18)19(22-26)21(28)25-13-11-24(12-14-25)10-9-23(3)4/h5-8,16H,9-15H2,1-4H3/p+2