ethyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C14H27N4O3S+ MolecularWeight: 331.45418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C14H26N4O3S/c1-2-21-14(19)18-7-5-17(6-8-18)13(22)15-3-4-16-9-11-20-12-10-16/h2-12H2,1H3,(H,15,22)/p+1