2-(1-adamantyl)ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: 2-(1-adamantyl)ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: 2-(1-adamantyl)ethyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid 2-(1-adamantyl)ethyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c20-17(16-1-4-19(21)5-2-16)22-6-3-18-10-13-7-14(11-18)9-15(8-13)12-18/h1-2,4-5,13-15H,3,6-12H2