ethyl 1-[[5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H38N3O4+ MolecularWeight: 456.59762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C26H37N3O4/c1-2-33-26(32)18-5-7-29(8-6-18)15-21-3-4-22(25(31)28-21)24(30)27-14-23-19-10-16-9-17(12-19)13-20(23)11-16/h3-4,16-20,23H,2,5-15H2,1H3,(H,27,30)(H,28,31)/p+1