ethyl 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C13H22N5O3S+ MolecularWeight: 328.41048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C13H21N5O3S/c1-3-11-15-16-12(22-11)14-10(19)9-17-5-7-18(8-6-17)13(20)21-4-2/h3-9H2,1-2H3,(H,14,16,19)/p+1