ethyl 2-[[5-(2-piperidin-1-ium-1-ylethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(2-piperidin-1-ium-1-ylethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(2-piperidin-1-ium-1-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-piperidin-1-ium-1-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-piperidin-1-ium-1-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C13H21N4O3S2+ MolecularWeight: 345.46084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C13H20N4O3S2/c1-2-20-11(19)9-21-13-16-15-12(22-13)14-10(18)8-17-6-4-3-5-7-17/h2-9H2,1H3,(H,14,15,18)/p+1