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

Systemtic Name: 5-methyl-4-propan-2-yl-2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-isopropyl-5-methyl-2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 5-methyl-4-propan-2-yl-2-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 5-methyl-4-propan-2-yl-2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-isopropyl-5-methyl-2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]phenol Formula: C21H28F3N3O+2 MolecularWeight: 395.46173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26F3N3O/c1-14(2)18-11-16(19(28)10-15(18)3)13-26-6-8-27(9-7-26)20-5-4-17(12-25-20)21(22,23)24/h4-5,10-12,14,28H,6-9,13H2,1-3H3/p+2