4-[4-(1-adamantyl)phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: 4-[4-(1-adamantyl)phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: 4-[4-(1-adamantyl)phenyl]-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 4-[4-(1-adamantyl)phenyl]-1-oxido-3-pyridin-1-iumcarboxylate IUPAC Name: 4-[4-(1-adamantyl)phenyl]-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 4-[4-(1-adamantyl)phenyl]-1-oxido-pyridin-1-ium-3-carboxylate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C5=C(C=[N+](C=C5)[O-])C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C5=C(C=[N+](C=C5)[O-])C(=O)[O-]

InChI

InChI=1S/C22H23NO3/c24-21(25)20-13-23(26)6-5-19(20)17-1-3-18(4-2-17)22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,13-16H,7-12H2,(H,24,25)/p-1