(4-methylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: p-tolyl-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (4-methylphenyl)-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: p-tolyl-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C18H19F3N3O+ MolecularWeight: 350.35817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

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