dimethyl-[1-[[(3-phenyl-1H-pyrazol-5-yl)carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[(3-phenyl-1H-pyrazol-5-yl)carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]cycloheptyl]ammonium Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O/c1-24(2)20(12-8-3-4-9-13-20)15-21-19(25)18-14-17(22-23-18)16-10-6-5-7-11-16/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3,(H,21,25)(H,22,23)/p+1