(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)azanium; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: (1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)azanium; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: (1-benzyl-2-methoxy-2-oxo-ethyl)ammonium; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (1-methoxy-1-oxo-3-phenylpropan-2-yl)ammonium; (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoate IUPAC Name: (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (1-benzyl-2-keto-2-methoxy-ethyl)ammonium; (E)-3-(3,4,5-trimethoxyphenyl)acrylate Formula: C22H27NO7 MolecularWeight: 417.45228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)[O-].COC(=O)C(CC1=CC=CC=C1)[NH3+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)[O-].COC(=O)C(CC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C12H14O5.C10H13NO2/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3;1-13-10(12)9(11)7-8-5-3-2-4-6-8/h4-7H,1-3H3,(H,13,14);2-6,9H,7,11H2,1H3/b5-4+;