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

Systemtic Name: 6-methyl-4-[10-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-2-one bromide Openeye Name: 6-methyl-4-[10-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-2-one bromide CAS Name: 6-methyl-4-[10-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1-pyridin-1-iumyl]decylthio]-1H-pyrimidin-2-one bromide IUPAC Name: 6-methyl-4-[10-[4-[(E)-3-oxo-3-phenylprop-1-enyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-2-one bromide Traditional Name: 4-[10-[4-[(E)-3-keto-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]decylthio]-6-methyl-1H-pyrimidin-2-one bromide Formula: C29H36BrN3O2S MolecularWeight: 570.58404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1)SCCCCCCCCCC[N+]2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC(=NC(=O)N1)SCCCCCCCCCC[N+]2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C29H35N3O2S.BrH/c1-24-23-28(31-29(34)30-24)35-22-12-7-5-3-2-4-6-11-19-32-20-17-25(18-21-32)15-16-27(33)26-13-9-8-10-14-26;/h8-10,13-18,20-21,23H,2-7,11-12,19,22H2,1H3;1H/b16-15+;