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

Systemtic Name: [3-methyl-1-(2-methylphenyl)-5-propan-2-yl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-isopropyl-3-methyl-1-(o-tolyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-methyl-1-(2-methylphenyl)-5-propan-2-yl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-isopropyl-3-methyl-1-(o-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:

CC1=CC=CC=C1N2C(=C(C(=N2)C)C(=O)N3CC[NH+](CC3)C)C(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C)C(=O)N3CC[NH+](CC3)C)C(C)C

InChI

InChI=1S/C20H28N4O/c1-14(2)19-18(20(25)23-12-10-22(5)11-13-23)16(4)21-24(19)17-9-7-6-8-15(17)3/h6-9,14H,10-13H2,1-5H3/p+1