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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-4-26-12-14-27(15-13-26)24(29)23-17-21(20-8-6-5-7-9-20)25-28(23)22-11-10-18(2)16-19(22)3/h5-11,16-17H,4,12-15H2,1-3H3/p+1