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

Systemtic Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylthio)ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[4-[2-(1,2-dihydroacenaphthylen-1-ylsulfanyl)ethyl]pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[4-[2-(acenaphthen-1-ylthio)ethyl]pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Formula: C27H23N2O3S+ MolecularWeight: 455.54812

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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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H23N2O3S/c30-25(20-7-9-23(10-8-20)29(31)32)18-28-14-11-19(12-15-28)13-16-33-26-17-22-5-1-3-21-4-2-6-24(26)27(21)22/h1-12,14-15,26H,13,16-18H2/q+1