dimethyl-[4-[(4-methyl-3-oxidanylidene-pent-4-en-2-yl)carbamoyl]phenyl]sulfanium hexafluorophosphate

Systemtic Name: dimethyl-[4-[(4-methyl-3-oxidanylidene-pent-4-en-2-yl)carbamoyl]phenyl]sulfanium hexafluorophosphate Openeye Name: [4-[(1,3-dimethyl-2-oxo-but-3-enyl)carbamoyl]phenyl]-dimethyl-sulfonium hexafluorophosphate CAS Name: dimethyl-[4-[[(4-methyl-3-oxopent-4-en-2-yl)amino]-oxomethyl]phenyl]sulfonium hexafluorophosphate IUPAC Name: dimethyl-[4-[(4-methyl-3-oxopent-4-en-2-yl)carbamoyl]phenyl]sulfanium hexafluorophosphate Traditional Name: [4-[(2-keto-1,3-dimethyl-but-3-enyl)carbamoyl]phenyl]-dimethyl-sulfonium hexafluorophosphate Formula: C15H20F6NO2PS MolecularWeight: 423.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C)C)NC(=O)C1=CC=C(C=C1)[S+](C)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC(C(=O)C(=C)C)NC(=O)C1=CC=C(C=C1)[S+](C)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C15H19NO2S.F6P/c1-10(2)14(17)11(3)16-15(18)12-6-8-13(9-7-12)19(4)5;1-7(2,3,4,5)6/h6-9,11H,1H2,2-5H3;/q;-1/p+1