[5-ethyl-3-(2-methylpropyl)-1-phenyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-ethyl-3-(2-methylpropyl)-1-phenyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-ethyl-3-isobutyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-3-(2-methylpropyl)-1-phenyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-3-(2-methylpropyl)-1-phenylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-ethyl-3-isobutyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2)CC(C)C)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2)CC(C)C)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C22H32N4O/c1-5-20-21(22(27)25-14-12-24(6-2)13-15-25)19(16-17(3)4)23-26(20)18-10-8-7-9-11-18/h7-11,17H,5-6,12-16H2,1-4H3/p+1