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

Systemtic Name: [5-ethyl-1-(4-methylphenyl)-3-propan-2-yl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-ethyl-3-isopropyl-1-(p-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(4-methylphenyl)-3-propan-2-yl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(4-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-ethyl-3-isopropyl-1-(p-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H33N4O+ MolecularWeight: 369.52362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O/c1-6-19-20(22(27)25-14-12-24(7-2)13-15-25)21(16(3)4)23-26(19)18-10-8-17(5)9-11-18/h8-11,16H,6-7,12-15H2,1-5H3/p+1