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

Systemtic Name: [5-methyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-isobutyl-5-methyl-1-(m-tolyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-methyl-1-(3-methylphenyl)-3-(2-methylpropyl)-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-methyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-isobutyl-5-methyl-1-(m-tolyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(=N2)CC(C)C)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=N2)CC(C)C)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H30N4O/c1-15(2)13-19-20(21(26)24-11-9-23(5)10-12-24)17(4)25(22-19)18-8-6-7-16(3)14-18/h6-8,14-15H,9-13H2,1-5H3/p+1