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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-phenyl-3,5-di(propan-2-yl)pyrazol-4-yl]methanone Openeye Name: (3,5-diisopropyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-phenyl-3,5-di(propan-2-yl)-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-phenyl-3,5-di(propan-2-yl)pyrazol-4-yl]methanone Traditional Name: (3,5-diisopropyl-1-phenyl-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:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C(C)C)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C(C)C)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H32N4O/c1-6-24-12-14-25(15-13-24)22(27)19-20(16(2)3)23-26(21(19)17(4)5)18-10-8-7-9-11-18/h7-11,16-17H,6,12-15H2,1-5H3/p+1