methyl 2-(1-adamantyl)-2-pyridin-1-ium-1-yl-ethanoate

Systemtic Name: methyl 2-(1-adamantyl)-2-pyridin-1-ium-1-yl-ethanoate Openeye Name: methyl 2-(1-adamantyl)-2-pyridin-1-ium-1-yl-acetate CAS Name: 2-(1-adamantyl)-2-(1-pyridin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(1-adamantyl)-2-pyridin-1-ium-1-ylacetate Traditional Name: 2-(1-adamantyl)-2-pyridin-1-ium-1-yl-acetic acid methyl ester Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C12CC3CC(C1)CC(C3)C2)[N+]4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C12CC3CC(C1)CC(C3)C2)[N+]4=CC=CC=C4

InChI

InChI=1S/C18H24NO2/c1-21-17(20)16(19-5-3-2-4-6-19)18-10-13-7-14(11-18)9-15(8-13)12-18/h2-6,13-16H,7-12H2,1H3/q+1