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

Systemtic Name: [2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC(=CC=C4)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H30N4O2/c1-5-27-11-13-28(14-12-27)25(30)24-17-22(20-7-6-8-21(16-20)31-4)26-29(24)23-15-18(2)9-10-19(23)3/h6-10,15-17H,5,11-14H2,1-4H3/p+1