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

Systemtic Name: methyl 1-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(1-adamantylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(1-adamantylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-adamantylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(1-adamantylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3/c1-24-18(23)16-2-4-21(5-3-16)12-17(22)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,2-12H2,1H3,(H,20,22)/p+1