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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(2-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[3-isobutyl-5-methyl-1-(o-tolyl)pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[5-methyl-1-(2-methylphenyl)-3-(2-methylpropyl)-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(2-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[3-isobutyl-5-methyl-1-(o-tolyl)pyrazol-4-yl]methanone Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2CC(C)C)C3=CC=CC=C3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2CC(C)C)C3=CC=CC=C3C)C

InChI

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