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

Systemtic Name: [5-ethyl-1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-ethyl-3-isobutyl-1-(4-methoxyphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(4-methoxyphenyl)-3-(2-methylpropyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-ethyl-3-isobutyl-1-(4-methoxyphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)OC)CC(C)C)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)OC)CC(C)C)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C23H34N4O2/c1-6-21-22(23(28)26-14-12-25(7-2)13-15-26)20(16-17(3)4)24-27(21)18-8-10-19(29-5)11-9-18/h8-11,17H,6-7,12-16H2,1-5H3/p+1