dimethyl-[[(1S,2R)-2-phenyl-2-prop-2-enoxycarbonyl-cyclopropyl]methyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-[[(1S,2R)-2-phenyl-2-prop-2-enoxycarbonyl-cyclopropyl]methyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [(1S,2R)-2-allyloxycarbonyl-2-phenyl-cyclopropyl]methyl-dimethyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[[(1S,2R)-2-[oxo(prop-2-enoxy)methyl]-2-phenylcyclopropyl]methyl]ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[[(1S,2R)-2-phenyl-2-prop-2-enoxycarbonylcyclopropyl]methyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [(1S,2R)-2-allyloxycarbonyl-2-phenyl-cyclopropyl]methyl-dimethyl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1CC1(C2=CC=CC=C2)C(=O)OCC=C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)C[C@H]1C[C@@]1(C2=CC=CC=C2)C(=O)OCC=C.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C16H21NO2.C4H4O4/c1-4-10-19-15(18)16(11-14(16)12-17(2)3)13-8-6-5-7-9-13;5-3(6)1-2-4(7)8/h4-9,14H,1,10-12H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,16+;/m1./s1