[3,5-diethyl-1-(4-methylphenyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3,5-diethyl-1-(4-methylphenyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3,5-diethyl-1-(p-tolyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3,5-diethyl-1-(4-methylphenyl)-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3,5-diethyl-1-(4-methylphenyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3,5-diethyl-1-(p-tolyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O/c1-5-17-19(20(25)23-13-11-22(4)12-14-23)18(6-2)24(21-17)16-9-7-15(3)8-10-16/h7-10H,5-6,11-14H2,1-4H3/p+1