N-(4-methylpiperazin-4-ium-1-yl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-(4-methylpiperazin-4-ium-1-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(4-methylpiperazin-4-ium-1-yl)phthalazine-1-carboxamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN3CC[NH+](CC3)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN3CC[NH+](CC3)C

InChI

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