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

Systemtic Name: ethyl 4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H35N4O4+ MolecularWeight: 407.527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O4/c1-3-29-20(28)25-6-4-24(5-7-25)14(2)18(26)22-19(27)23-21-11-15-8-16(12-21)10-17(9-15)13-21/h14-17H,3-13H2,1-2H3,(H2,22,23,26,27)/p+1/t14-,15?,16?,17?,21?/m1/s1