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

Systemtic Name: [5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-ethyl-3-isobutyl-1-(m-tolyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-ethyl-3-isobutyl-1-(m-tolyl)pyrazol-4-yl]-(4-methylpiperazin-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)C)CC(C)C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

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

InChI

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