(3-methoxynaphthalen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (3-methoxynaphthalen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (3-methoxy-2-naphthyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (3-methoxy-2-naphthalenyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (3-methoxynaphthalen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (3-methoxy-2-naphthyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C22H21F3N3O2+ MolecularWeight: 416.41625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2/c1-30-19-13-16-5-3-2-4-15(16)12-18(19)21(29)28-10-8-27(9-11-28)20-7-6-17(14-26-20)22(23,24)25/h2-7,12-14H,8-11H2,1H3/p+1