2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(5-cyclopropyl-2-phenyl-3-pyrazolyl)-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(5-cyclopropyl-2-phenylpyrazole-3-carbonyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)amino]ethyl-diisopropyl-ammonium Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3)C(C)C

InChI

InChI=1S/C21H30N4O/c1-15(2)24(16(3)4)13-12-22-21(26)20-14-19(17-10-11-17)23-25(20)18-8-6-5-7-9-18/h5-9,14-17H,10-13H2,1-4H3,(H,22,26)/p+1