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

Systemtic Name: ethyl 1-[[5-(2-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-[(2-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(2-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H36N3O4+ MolecularWeight: 442.57104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H35N3O4/c1-2-32-25(31)17-5-7-28(8-6-17)14-20-3-4-21(23(29)26-20)24(30)27-22-18-10-15-9-16(12-18)13-19(22)11-15/h3-4,15-19,22H,2,5-14H2,1H3,(H,26,29)(H,27,30)/p+1