5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1,3,4-thiadiazole-2-thiolate

Systemtic Name: 5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1,3,4-thiadiazole-2-thiolate Openeye Name: 5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1,3,4-thiadiazole-2-thiolate CAS Name: 5-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-1,3,4-thiadiazole-2-thiolate IUPAC Name: 5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1,3,4-thiadiazole-2-thiolate Traditional Name: 5-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1,3,4-thiadiazole-2-thiolate Formula: C11H20N4S2 MolecularWeight: 272.4333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=NN=C(S2)[S-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=NN=C(S2)[S-]

InChI

InChI=1S/C11H20N4S2/c1-9-5-2-3-7-15(9)8-4-6-12-10-13-14-11(16)17-10/h9H,2-8H2,1H3,(H,12,13)(H,14,16)/t9-/m0/s1