ethyl 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[2-(1-adamantyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-adamantyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26NO3/c1-2-24-19(23)17-4-3-5-21(12-17)13-18(22)20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,12,14-16H,2,6-11,13H2,1H3/q+1