2-[[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCC[NH+](C(C)C)C(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCC[NH+](C(C)C)C(C)C)C

InChI

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