2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Formula: C18H25N4OS2+ MolecularWeight: 377.5473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(S1)SCC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H24N4OS2/c1-14-20-21-18(25-14)24-13-17(23)19-16-8-5-10-22(12-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,19,23)/p+1/t16-/m0/s1