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

Systemtic Name: ethyl 4-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(1-adamantylmethylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(1-adamantylmethylamino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-adamantylmethylamino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(1-adamantylmethylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H34N3O3+ MolecularWeight: 364.50226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H33N3O3/c1-2-26-19(25)23-5-3-22(4-6-23)13-18(24)21-14-20-10-15-7-16(11-20)9-17(8-15)12-20/h15-17H,2-14H2,1H3,(H,21,24)/p+1