1-adamantylmethyl 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: 1-adamantylmethyl 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: 1-adamantylmethyl 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid 1-adamantylmethyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c19-16(15-2-1-3-18(20)10-15)21-11-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,10,12-14H,4-9,11H2