prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)pyridin-1-ium-3-yl]carbamate

Systemtic Name: prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)pyridin-1-ium-3-yl]carbamate Openeye Name: prop-2-ynyl N-[6-morpholino-5-(trifluoromethyl)pyridin-1-ium-3-yl]carbamate CAS Name: N-[6-(4-morpholinyl)-5-(trifluoromethyl)-3-pyridin-1-iumyl]carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)pyridin-1-ium-3-yl]carbamate Traditional Name: N-[6-morpholino-5-(trifluoromethyl)pyridin-1-ium-3-yl]carbamic acid propargyl ester Formula: C14H15F3N3O3+ MolecularWeight: 330.28241

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)NC1=C[NH+]=C(C(=C1)C(F)(F)F)N2CCOCC2

Isomeric SMILES

C#CCOC(=O)NC1=C[NH+]=C(C(=C1)C(F)(F)F)N2CCOCC2

InChI

InChI=1S/C14H14F3N3O3/c1-2-5-23-13(21)19-10-8-11(14(15,16)17)12(18-9-10)20-3-6-22-7-4-20/h1,8-9H,3-7H2,(H,19,21)/p+1