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

Systemtic Name: 1-(1-adamantyl)-2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[4-[2-[(4-fluorophenyl)thio]ethyl]-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-[4-[2-[(4-fluorophenyl)thio]ethyl]pyridin-1-ium-1-yl]ethanone Formula: C25H29FNOS+ MolecularWeight: 410.567263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FNOS/c26-22-1-3-23(4-2-22)29-10-7-18-5-8-27(9-6-18)17-24(28)25-14-19-11-20(15-25)13-21(12-19)16-25/h1-6,8-9,19-21H,7,10-17H2/q+1