3,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C23H28N5O+ MolecularWeight: 390.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N5O/c1-17-22(18(2)28(25-17)21-7-5-4-6-8-21)23(29)24-19-9-11-20(12-10-19)27-15-13-26(3)14-16-27/h4-12H,13-16H2,1-3H3,(H,24,29)/p+1