dimethyl-[2-[[1-(4-methylphenyl)-3,5-dipropyl-pyrazol-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[1-(4-methylphenyl)-3,5-dipropyl-pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: 2-[[3,5-dipropyl-1-(p-tolyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[1-(4-methylphenyl)-3,5-dipropyl-4-pyrazolyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[1-(4-methylphenyl)-3,5-dipropylpyrazole-4-carbonyl]amino]ethyl]azanium Traditional Name: 2-[[3,5-dipropyl-1-(p-tolyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)C)CCC)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)C)CCC)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C21H32N4O/c1-6-8-18-20(21(26)22-14-15-24(4)5)19(9-7-2)25(23-18)17-12-10-16(3)11-13-17/h10-13H,6-9,14-15H2,1-5H3,(H,22,26)/p+1