6-[9-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]nonylsulfanyl]-1H-pyrimidin-2-one bromide

Systemtic Name: 6-[9-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]nonylsulfanyl]-1H-pyrimidin-2-one bromide Openeye Name: 6-[9-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]nonylsulfanyl]-1H-pyrimidin-2-one bromide CAS Name: 6-[9-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1-pyridin-1-iumyl]nonylthio]-1H-pyrimidin-2-one bromide IUPAC Name: 6-[9-[4-[(E)-3-oxo-3-phenylprop-1-enyl]pyridin-1-ium-1-yl]nonylsulfanyl]-1H-pyrimidin-2-one bromide Traditional Name: 6-[9-[4-[(E)-3-keto-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]nonylthio]-1H-pyrimidin-2-one bromide Formula: C27H32BrN3O2S MolecularWeight: 542.53088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CC2=CC=[N+](C=C2)CCCCCCCCCSC3=CC=NC(=O)N3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=[N+](C=C2)CCCCCCCCCSC3=CC=NC(=O)N3.[Br-]

InChI

InChI=1S/C27H31N3O2S.BrH/c31-25(24-11-7-6-8-12-24)14-13-23-16-20-30(21-17-23)19-9-4-2-1-3-5-10-22-33-26-15-18-28-27(32)29-26;/h6-8,11-18,20-21H,1-5,9-10,19,22H2;1H/b14-13+;