1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium Formula: C20H25F3N3O2+ MolecularWeight: 396.42661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)OC)OC

InChI

InChI=1S/C20H24F3N3O2/c1-14-10-17(27-2)18(28-3)11-15(14)13-25-6-8-26(9-7-25)19-5-4-16(12-24-19)20(21,22)23/h4-5,10-12H,6-9,13H2,1-3H3/p+1