methyl 1-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(1-adamantylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(1-adamantylmethylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-adamantylmethylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(1-adamantylmethylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H32N2O3/c1-25-19(24)17-2-4-22(5-3-17)12-18(23)21-13-20-9-14-6-15(10-20)8-16(7-14)11-20/h14-17H,2-13H2,1H3,(H,21,23)/p+1