N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(trifluoromethyl)benzamide Formula: C20H22ClF3N3O+ MolecularWeight: 412.85639

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H21ClF3N3O/c1-2-26-8-10-27(11-9-26)18-7-6-16(21)13-17(18)25-19(28)14-4-3-5-15(12-14)20(22,23)24/h3-7,12-13H,2,8-11H2,1H3,(H,25,28)/p+1