(4-methylpiperazin-4-ium-1-yl)-[3-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[3-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[3-[5-(trifluoromethyl)-2-pyridyl]phenyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[3-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[3-[5-(trifluoromethyl)-2-pyridyl]phenyl]methanone Formula: C18H19F3N3O+ MolecularWeight: 350.35817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O/c1-23-7-9-24(10-8-23)17(25)14-4-2-3-13(11-14)16-6-5-15(12-22-16)18(19,20)21/h2-6,11-12H,7-10H2,1H3/p+1