N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C23H27ClN5O+ MolecularWeight: 424.94638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN5O/c1-16-22(17(2)29(26-16)19-7-5-4-6-8-19)23(30)25-20-15-18(24)9-10-21(20)28-13-11-27(3)12-14-28/h4-10,15H,11-14H2,1-3H3,(H,25,30)/p+1