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

Systemtic Name: 1-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(1-adamantylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(1-adamantylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(1-adamantylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(1-adamantylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H28N2O3/c21-16(11-20-3-1-15(2-4-20)17(22)23)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2,(H,19,21)(H,22,23)