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

Systemtic Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylthio)ethyl]-1-pyridin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[4-[2-(acenaphthen-1-ylthio)ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Formula: C27H24NOS+ MolecularWeight: 410.55056

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H24NOS/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/q+1