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

Systemtic Name: 2-[[5-ethyl-1-(3-methylphenyl)-3-propyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-ethyl-1-(m-tolyl)-3-propyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-ethyl-1-(3-methylphenyl)-3-propyl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-ethyl-1-(3-methylphenyl)-3-propylpyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-ethyl-1-(m-tolyl)-3-propyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)NCC[NH+](C)C)CC)C2=CC=CC(=C2)C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)NCC[NH+](C)C)CC)C2=CC=CC(=C2)C

InChI

InChI=1S/C20H30N4O/c1-6-9-17-19(20(25)21-12-13-23(4)5)18(7-2)24(22-17)16-11-8-10-15(3)14-16/h8,10-11,14H,6-7,9,12-13H2,1-5H3,(H,21,25)/p+1