2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylthio)ethyl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[4-[2-(acenaphthen-1-ylthio)ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C27H24BrNOS MolecularWeight: 490.45456

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC3=C2C1=CC=C3)SCCC4=CC=[N+](C=C4)CC(=O)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C(C2=CC=CC3=C2C1=CC=C3)SCCC4=CC=[N+](C=C4)CC(=O)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H24NOS.BrH/c29-25(21-6-2-1-3-7-21)19-28-15-12-20(13-16-28)14-17-30-26-18-23-10-4-8-22-9-5-11-24(26)27(22)23;/h1-13,15-16,26H,14,17-19H2;1H/q+1;/p-1