1-[(4-propan-2-ylphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium

Systemtic Name: 1-[(4-propan-2-ylphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-[(4-propan-2-ylphenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-[(4-propan-2-ylphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Traditional Name: 1-(4-isopropylbenzyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Formula: C20H26F3N3+2 MolecularWeight: 365.43575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24F3N3/c1-15(2)17-5-3-16(4-6-17)14-25-9-11-26(12-10-25)19-8-7-18(13-24-19)20(21,22)23/h3-8,13,15H,9-12,14H2,1-2H3/p+2