1-(1-adamantyl)-2-[4-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[4-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[4-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[4-[2-(phenylthio)ethyl]-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[4-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-[4-[2-(phenylthio)ethyl]pyridin-1-ium-1-yl]ethanone Formula: C25H30NOS+ MolecularWeight: 392.5768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)CCSC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)CCSC5=CC=CC=C5

InChI

InChI=1S/C25H30NOS/c27-24(25-15-20-12-21(16-25)14-22(13-20)17-25)18-26-9-6-19(7-10-26)8-11-28-23-4-2-1-3-5-23/h1-7,9-10,20-22H,8,11-18H2/q+1