6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium

Systemtic Name: 6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium Openeye Name: 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-isopropyl-4-methyl-pyrimidin-1-ium CAS Name: 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-4-methyl-2-propan-2-ylpyrimidin-1-ium IUPAC Name: 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-4-methyl-2-propan-2-ylpyrimidin-1-ium Traditional Name: 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-isopropyl-4-methyl-pyrimidin-1-ium Formula: C18H22ClF3N5+ MolecularWeight: 400.84899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H21ClF3N5/c1-11(2)16-24-12(3)8-15(25-16)26-4-6-27(7-5-26)17-14(19)9-13(10-23-17)18(20,21)22/h8-11H,4-7H2,1-3H3/p+1