7-methoxy-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 7-methoxy-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 7-methoxy-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 7-methoxy-1-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 7-methoxy-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 7-methoxy-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C22H24F3N3O2+2 MolecularWeight: 419.44007

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F)O

InChI

InChI=1S/C22H22F3N3O2/c1-30-17-5-2-15-3-6-20(29)19(18(15)12-17)14-27-8-10-28(11-9-27)21-7-4-16(13-26-21)22(23,24)25/h2-7,12-13,29H,8-11,14H2,1H3/p+2