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

Systemtic Name: ethyl 4-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-adamantylcarbamoylamino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(1-adamantylcarbamoylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H33N4O4+ MolecularWeight: 393.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4/c1-2-28-19(27)24-5-3-23(4-6-24)13-17(25)21-18(26)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,2-13H2,1H3,(H2,21,22,25,26)/p+1