3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C14H18ClF3N3O+ MolecularWeight: 336.76043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H17ClF3N3O/c1-20-4-6-21(7-5-20)13(22)3-2-12-11(15)8-10(9-19-12)14(16,17)18/h8-9H,2-7H2,1H3/p+1