hydrogen sulfate; 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one

Systemtic Name: hydrogen sulfate; 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one Openeye Name: hydrogen sulfate; 4-[(E)-2-(3-hydroxyphenyl)vinyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one CAS Name: hydrogen sulfate; 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-1,3,6-trimethyl-2-pyrimidin-3-iumone IUPAC Name: hydrogen sulfate; 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-1,3,6-trimethylpyrimidin-3-ium-2-one Traditional Name: 4-[(E)-2-(3-hydroxyphenyl)vinyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one bisulfate Formula: C15H18N2O6S MolecularWeight: 354.37822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=O)N1C)C)C=CC2=CC(=CC=C2)O.OS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2.H2O4S/c1-11-9-13(17(3)15(19)16(11)2)8-7-12-5-4-6-14(18)10-12;1-5(2,3)4/h4-10H,1-3H3;(H2,1,2,3,4)/b8-7+;