[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=CC=[N+](C=C5)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C23H26N2O5/c26-21(15-30-22(27)19-3-5-24(28)6-4-19)25(14-20-2-1-7-29-20)23-11-16-8-17(12-23)10-18(9-16)13-23/h1-7,16-18H,8-15H2