N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(trifluoromethyl)benzamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(trifluoromethyl)benzamide Formula: C18H20F3N4O+ MolecularWeight: 365.37281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N4O/c1-24-7-9-25(10-8-24)16-6-5-15(12-22-16)23-17(26)13-3-2-4-14(11-13)18(19,20)21/h2-6,11-12H,7-10H2,1H3,(H,23,26)/p+1