ethyl (3S)-1-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(1-adamantylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(1-adamantylamino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(1-adamantylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(1-adamantylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H32N2O3/c1-2-25-19(24)17-4-3-5-22(12-17)13-18(23)21-20-9-14-6-15(10-20)8-16(7-14)11-20/h14-17H,2-13H2,1H3,(H,21,23)/p+1/t14?,15?,16?,17-,20?/m0/s1