dimethyl-[1-[[(6-oxidanylidene-1-phenyl-4,5-dihydropyridazin-3-yl)carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[(6-oxidanylidene-1-phenyl-4,5-dihydropyridazin-3-yl)carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[oxo-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)methyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cycloheptyl]azanium Traditional Name: [1-[[(6-keto-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2/c1-24(2)21(14-8-3-4-9-15-21)16-22-20(27)18-12-13-19(26)25(23-18)17-10-6-5-7-11-17/h5-7,10-11H,3-4,8-9,12-16H2,1-2H3,(H,22,27)/p+1