2-[10-[4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[10-[4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[10-[4-[(E)-2-(3-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[10-[4-[(E)-2-(3-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]decylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[10-[4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]decylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[10-[4-[(E)-2-(3-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]decylthio]-1H-pyrimidin-6-one Formula: C27H34N3O2S+ MolecularWeight: 464.64276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2S/c31-25-11-9-10-24(22-25)13-12-23-15-19-30(20-16-23)18-7-5-3-1-2-4-6-8-21-33-27-28-17-14-26(32)29-27/h9-17,19-20,22H,1-8,18,21H2,(H-,28,29,31,32)/p+1/b13-12+