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

Systemtic Name: (3-methoxyphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (3-methoxyphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (3-methoxyphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C18H19F3N3O2+ MolecularWeight: 366.35757

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2/c1-26-14-5-2-4-13(12-14)17(25)24-10-8-23(9-11-24)16-15(18(19,20)21)6-3-7-22-16/h2-7,12H,8-11H2,1H3/p+1