[3-(4-chlorophenyl)-3-pyridin-2-yl-propyl]-bis(trideuteriomethyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [3-(4-chlorophenyl)-3-pyridin-2-yl-propyl]-bis(trideuteriomethyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [3-(4-chlorophenyl)-3-(2-pyridyl)propyl]-bis(trideuteriomethyl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [3-(4-chlorophenyl)-3-(2-pyridinyl)propyl]-bis(trideuteriomethyl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-bis(trideuteriomethyl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [3-(4-chlorophenyl)-3-(2-pyridyl)propyl]-bis(trideuteriomethyl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C20H23ClN2O4 MolecularWeight: 396.897591

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

[2H]C([2H])([2H])[NH+](CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2)C([2H])([2H])[2H].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/i1D3,2D3;