[(3S)-3-methoxycarbonyl-4-oxidanylidene-4-[4-(trifluoromethyl)phenyl]but-1-en-2-yl]-methyl-azanium

Systemtic Name: [(3S)-3-methoxycarbonyl-4-oxidanylidene-4-[4-(trifluoromethyl)phenyl]but-1-en-2-yl]-methyl-azanium Openeye Name: [(2S)-2-methoxycarbonyl-1-methylene-3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-methyl-ammonium CAS Name: [(3S)-3-methoxycarbonyl-4-oxo-4-[4-(trifluoromethyl)phenyl]but-1-en-2-yl]-methylammonium IUPAC Name: [(3S)-3-methoxycarbonyl-4-oxo-4-[4-(trifluoromethyl)phenyl]but-1-en-2-yl]-methylazanium Traditional Name: 1-[(1S)-1-carbomethoxy-2-keto-2-[4-(trifluoromethyl)phenyl]ethyl]vinyl-methyl-ammonium Formula: C14H15F3NO3+ MolecularWeight: 302.26901

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C(=C)C(C(=O)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC

Isomeric SMILES

C[NH2+]C(=C)[C@@H](C(=O)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C14H14F3NO3/c1-8(18-2)11(13(20)21-3)12(19)9-4-6-10(7-5-9)14(15,16)17/h4-7,11,18H,1H2,2-3H3/p+1/t11-/m0/s1