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

Systemtic Name: ethyl 4-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(1-adamantylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(1-adamantylamino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-adamantylamino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(1-adamantylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H32N3O3+ MolecularWeight: 350.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H31N3O3/c1-2-25-18(24)22-5-3-21(4-6-22)13-17(23)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,2-13H2,1H3,(H,20,23)/p+1