6-[10-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-2-one bromide

Systemtic Name: 6-[10-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-2-one bromide Openeye Name: 6-[10-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-2-one bromide CAS Name: 6-[10-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1-pyridin-1-iumyl]decylthio]-1H-pyrimidin-2-one bromide IUPAC Name: 6-[10-[4-[(E)-3-oxo-3-phenylprop-1-enyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-2-one bromide Traditional Name: 6-[10-[4-[(E)-3-keto-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]decylthio]-1H-pyrimidin-2-one bromide Formula: C28H34BrN3O2S MolecularWeight: 556.55746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CC2=CC=[N+](C=C2)CCCCCCCCCCSC3=CC=NC(=O)N3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=[N+](C=C2)CCCCCCCCCCSC3=CC=NC(=O)N3.[Br-]

InChI

InChI=1S/C28H33N3O2S.BrH/c32-26(25-12-8-7-9-13-25)15-14-24-17-21-31(22-18-24)20-10-5-3-1-2-4-6-11-23-34-27-16-19-29-28(33)30-27;/h7-9,12-19,21-22H,1-6,10-11,20,23H2;1H/b15-14+;