hydron; 4-[(E)-2-(2-methoxy-6-oxidanyl-phenyl)ethenyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one; sulfate

Systemtic Name: hydron; 4-[(E)-2-(2-methoxy-6-oxidanyl-phenyl)ethenyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one; sulfate Openeye Name: hydron; 4-[(E)-2-(2-hydroxy-6-methoxy-phenyl)vinyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one; sulfate CAS Name: hydron; 4-[(E)-2-(2-hydroxy-6-methoxyphenyl)ethenyl]-1,3,6-trimethyl-2-pyrimidin-3-iumone; sulfate IUPAC Name: hydron; 4-[(E)-2-(2-hydroxy-6-methoxyphenyl)ethenyl]-1,3,6-trimethylpyrimidin-3-ium-2-one; sulfate Traditional Name: hydron; 4-[(E)-2-(2-hydroxy-6-methoxy-phenyl)vinyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one; sulfate Formula: C16H20N2O7S MolecularWeight: 384.4042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=CC(=[N+](C(=O)N1C)C)C=CC2=C(C=CC=C2OC)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CC1=CC(=[N+](C(=O)N1C)C)/C=C/C2=C(C=CC=C2OC)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H18N2O3.H2O4S/c1-11-10-12(18(3)16(20)17(11)2)8-9-13-14(19)6-5-7-15(13)21-4;1-5(2,3)4/h5-10H,1-4H3;(H2,1,2,3,4)