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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C18H21NO4/c20-16(11-23-17(21)15-2-1-3-19(22)10-15)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,10,12-14H,4-9,11H2