4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(dimethylamino)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzamide Formula: C21H26F3N4O+ MolecularWeight: 407.45255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F3N4O/c1-26(2)17-7-4-15(5-8-17)20(29)25-18-14-16(21(22,23)24)6-9-19(18)28-12-10-27(3)11-13-28/h4-9,14H,10-13H2,1-3H3,(H,25,29)/p+1