1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]-5-(trifluoromethyl)pyridin-2-one

Systemtic Name: 1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]-5-(trifluoromethyl)pyridin-2-one Openeye Name: 1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]-5-(trifluoromethyl)pyridin-2-one CAS Name: 1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]-5-(trifluoromethyl)-2-pyridinone IUPAC Name: 1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one Traditional Name: 1-[2-keto-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-5-(trifluoromethyl)-2-pyridone Formula: C14H19F3N3O2+ MolecularWeight: 318.31477

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CN2C=C(C=CC2=O)C(F)(F)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CN2C=C(C=CC2=O)C(F)(F)F

InChI

InChI=1S/C14H18F3N3O2/c1-18-5-2-6-19(8-7-18)13(22)10-20-9-11(14(15,16)17)3-4-12(20)21/h3-4,9H,2,5-8,10H2,1H3/p+1