3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C18H22ClF3N3O+ MolecularWeight: 388.83499

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)C

InChI

InChI=1S/C18H21ClF3N3O/c1-17(2)9-13(8-14(26)10-17)24-3-5-25(6-4-24)16-15(19)7-12(11-23-16)18(20,21)22/h7-8,11H,3-6,9-10H2,1-2H3/p+1