dimethyl-[1-[[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]methyl]cycloheptyl]azanium Traditional Name: [1-[[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-28(2)25(16-10-3-4-11-17-25)18-26-23(30)22-20-14-8-9-15-21(20)24(31)29(27-22)19-12-6-5-7-13-19/h5-9,12-15H,3-4,10-11,16-18H2,1-2H3,(H,26,30)/p+1