[1-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexyl]-dimethylazanium Traditional Name: [1-[[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3(CCCCC3)[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3(CCCCC3)[NH+](C)C

InChI

InChI=1S/C21H30N4O/c1-16-19(17(2)25(23-16)18-11-7-5-8-12-18)20(26)22-15-21(24(3)4)13-9-6-10-14-21/h5,7-8,11-12H,6,9-10,13-15H2,1-4H3,(H,22,26)/p+1