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

Systemtic Name: 6-methyl-4-[9-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]nonylsulfanyl]-1H-pyrimidin-2-one Openeye Name: 6-methyl-4-[9-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]nonylsulfanyl]-1H-pyrimidin-2-one CAS Name: 6-methyl-4-[9-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1-pyridin-1-iumyl]nonylthio]-1H-pyrimidin-2-one IUPAC Name: 6-methyl-4-[9-[4-[(E)-3-oxo-3-phenylprop-1-enyl]pyridin-1-ium-1-yl]nonylsulfanyl]-1H-pyrimidin-2-one Traditional Name: 4-[9-[4-[(E)-3-keto-3-phenyl-prop-1-enyl]pyridin-1-ium-1-yl]nonylthio]-6-methyl-1H-pyrimidin-2-one Formula: C28H34N3O2S+ MolecularWeight: 476.65346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1)SCCCCCCCCC[N+]2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=O)N1)SCCCCCCCCC[N+]2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H33N3O2S/c1-23-22-27(30-28(33)29-23)34-21-11-6-4-2-3-5-10-18-31-19-16-24(17-20-31)14-15-26(32)25-12-8-7-9-13-25/h7-9,12-17,19-20,22H,2-6,10-11,18,21H2,1H3/p+1/b15-14+