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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3.H2O4S/c1-11-9-13(18(3)16(20)17(11)2)7-5-12-6-8-15(21-4)14(19)10-12;1-5(2,3)4/h5-10H,1-4H3;(H2,1,2,3,4)/b7-5+;