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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(4-methylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(p-tolyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[2-(4-methylphenyl)-5-thiophen-2-yl-3-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(4-methylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(p-tolyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C21H25N4OS+ MolecularWeight: 381.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CS4

InChI

InChI=1S/C21H24N4OS/c1-3-23-10-12-24(13-11-23)21(26)19-15-18(20-5-4-14-27-20)22-25(19)17-8-6-16(2)7-9-17/h4-9,14-15H,3,10-13H2,1-2H3/p+1