4-[(E)-2-(4-methoxy-4-oxidanyl-cyclohexa-2,5-dien-1-yl)ethenyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one

Systemtic Name: 4-[(E)-2-(4-methoxy-4-oxidanyl-cyclohexa-2,5-dien-1-yl)ethenyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one Openeye Name: 4-[(E)-2-(4-hydroxy-4-methoxy-cyclohexa-2,5-dien-1-yl)vinyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one CAS Name: 4-[(E)-2-(4-hydroxy-4-methoxy-1-cyclohexa-2,5-dienyl)ethenyl]-1,3,6-trimethyl-2-pyrimidin-3-iumone IUPAC Name: 4-[(E)-2-(4-hydroxy-4-methoxycyclohexa-2,5-dien-1-yl)ethenyl]-1,3,6-trimethylpyrimidin-3-ium-2-one Traditional Name: 4-[(E)-2-(4-hydroxy-4-methoxy-cyclohexa-2,5-dien-1-yl)vinyl]-1,3,6-trimethyl-pyrimidin-3-ium-2-one Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=O)N1C)C)C=CC2C=CC(C=C2)(O)OC

Isomeric SMILES

CC1=CC(=[N+](C(=O)N1C)C)/C=C/C2C=CC(C=C2)(O)OC

InChI

InChI=1S/C16H21N2O3/c1-12-11-14(18(3)15(19)17(12)2)6-5-13-7-9-16(20,21-4)10-8-13/h5-11,13,20H,1-4H3/q+1/b6-5+