2-[[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[5-ethyl-1-(p-tolyl)pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[5-ethyl-1-(4-methylphenyl)-4-pyrazolyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[5-ethyl-1-(p-tolyl)pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C21H32N4O/c1-7-20-19(14-23-25(20)18-10-8-17(6)9-11-18)21(26)22-12-13-24(15(2)3)16(4)5/h8-11,14-16H,7,12-13H2,1-6H3,(H,22,26)/p+1