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

Systemtic Name: methyl 1-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-adamantylcarbamoylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(1-adamantylcarbamoylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H31N3O4/c1-27-18(25)16-2-4-23(5-3-16)12-17(24)21-19(26)22-20-9-13-6-14(10-20)8-15(7-13)11-20/h13-16H,2-12H2,1H3,(H2,21,22,24,26)/p+1