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

Systemtic Name: [1-(2-methylphenyl)-5-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-(o-tolyl)-5-propyl-pyrazol-4-yl]methanone CAS Name: [1-(2-methylphenyl)-5-propyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-methylphenyl)-5-propylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-(o-tolyl)-5-propyl-pyrazol-4-yl]methanone Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H26N4O/c1-4-7-18-16(19(24)22-12-10-21(3)11-13-22)14-20-23(18)17-9-6-5-8-15(17)2/h5-6,8-9,14H,4,7,10-13H2,1-3H3/p+1