2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]ethyl-diisopropyl-ammonium Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O/c1-14(2)23(15(3)4)13-12-21-20(25)19-16(5)22-24(17(19)6)18-10-8-7-9-11-18/h7-11,14-15H,12-13H2,1-6H3,(H,21,25)/p+1