4-methoxy-2-prop-2-enyl-6-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-methoxy-2-prop-2-enyl-6-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-allyl-4-methoxy-6-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-methoxy-2-prop-2-enyl-6-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-methoxy-2-prop-2-enyl-6-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-allyl-4-methoxy-6-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]phenol Formula: C21H26F3N3O2+2 MolecularWeight: 409.44525

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)CC=C)O)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C(=C1)CC=C)O)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O2/c1-3-4-15-11-18(29-2)12-16(20(15)28)14-26-7-9-27(10-8-26)19-6-5-17(13-25-19)21(22,23)24/h3,5-6,11-13,28H,1,4,7-10,14H2,2H3/p+2