5-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-N-[2-(2-thienyl)ethyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethylthio]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylthio]-1,3,4-thiadiazol-2-yl]-[2-(2-thienyl)ethyl]amine Formula: C16H25N4S3+ MolecularWeight: 369.5915

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCSC2=NN=C(S2)NCCC3=CC=CS3

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCSC2=NN=C(S2)NCCC3=CC=CS3

InChI

InChI=1S/C16H24N4S3/c1-20-10-3-2-5-13(20)8-12-22-16-19-18-15(23-16)17-9-7-14-6-4-11-21-14/h4,6,11,13H,2-3,5,7-10,12H2,1H3,(H,17,18)/p+1/t13-/m0/s1