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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=CC=C2)C(C)C)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=CC=C2)C(C)C)C(=O)NCC[NH+](C)C

InChI

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