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

Systemtic Name: [2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(3-chlorophenyl)-5-phenyl-3-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(3-chlorophenyl)-5-phenylpyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H24ClN4O+ MolecularWeight: 395.90516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O/c1-2-25-11-13-26(14-12-25)22(28)21-16-20(17-7-4-3-5-8-17)24-27(21)19-10-6-9-18(23)15-19/h3-10,15-16H,2,11-14H2,1H3/p+1