2-[(1-tert-butyl-5-phenyl-pyrazol-4-yl)carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(1-tert-butyl-5-phenyl-pyrazol-4-yl)carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(1-tert-butyl-5-phenyl-pyrazole-4-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(1-tert-butyl-5-phenyl-4-pyrazolyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(1-tert-butyl-5-phenylpyrazole-4-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(1-tert-butyl-5-phenyl-pyrazole-4-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)NCC[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)NCC[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H26N4O/c1-18(2,3)22-16(14-9-7-6-8-10-14)15(13-20-22)17(23)19-11-12-21(4)5/h6-10,13H,11-12H2,1-5H3,(H,19,23)/p+1