tert-butyl-[3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl]azanium Openeye Name: tert-butyl-[3-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]propyl]ammonium CAS Name: tert-butyl-[3-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]propyl]ammonium Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH2+]C(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH2+]C(C)(C)C

InChI

InChI=1S/C20H30N4O2/c1-14(2)13-24-19(26)16-10-7-6-9-15(16)17(23-24)18(25)21-11-8-12-22-20(3,4)5/h6-7,9-10,14,22H,8,11-13H2,1-5H3,(H,21,25)/p+1