[5-ethyl-1-(4-methylphenyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-ethyl-1-(4-methylphenyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-ethyl-3-propyl-1-(p-tolyl)pyrazol-4-yl]methanone CAS Name: [5-ethyl-1-(4-methylphenyl)-3-propyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(4-methylphenyl)-3-propylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-ethyl-3-propyl-1-(p-tolyl)pyrazol-4-yl]methanone Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)CC)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)CC)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H32N4O/c1-5-8-19-21(22(27)25-15-13-24(7-3)14-16-25)20(6-2)26(23-19)18-11-9-17(4)10-12-18/h9-12H,5-8,13-16H2,1-4H3/p+1