2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]ethyl-diisopropyl-ammonium Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C21H32N4O/c1-15(2)24(16(3)4)13-12-22-21(26)20-17(5)23-25(18(20)6)14-19-10-8-7-9-11-19/h7-11,15-16H,12-14H2,1-6H3,(H,22,26)/p+1