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

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

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C)C)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C)C)C3=CC=CC=C3C

InChI

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