[1-(3-methylphenyl)-3,5-dipropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(3-methylphenyl)-3,5-dipropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-(m-tolyl)-3,5-dipropyl-pyrazol-4-yl]methanone CAS Name: [1-(3-methylphenyl)-3,5-dipropyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(3-methylphenyl)-3,5-dipropylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-(m-tolyl)-3,5-dipropyl-pyrazol-4-yl]methanone Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC(=C2)C)CCC)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC(=C2)C)CCC)C(=O)N3CC[NH+](CC3)C

InChI

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