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

Systemtic Name: ethyl 4-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(butylcarbamoylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[butylamino(oxo)methyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(butylcarbamoylamino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(butylcarbamoylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H27N4O4+ MolecularWeight: 315.38858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C[NH+]1CCN(CC1)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)NC(=O)C[NH+]1CCN(CC1)C(=O)OCC

InChI

InChI=1S/C14H26N4O4/c1-3-5-6-15-13(20)16-12(19)11-17-7-9-18(10-8-17)14(21)22-4-2/h3-11H2,1-2H3,(H2,15,16,19,20)/p+1