1-(3-methylsulfanylpropyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(3-methylsulfanylpropyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(3-methylsulfanylpropyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-[3-(methylthio)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(3-methylsulfanylpropyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-[3-(methylthio)propyl]piperidin-1-ium-4-carboxamide Formula: C19H27N4OS2+ MolecularWeight: 391.57388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CCCSC

Isomeric SMILES

CC1=NN=C(S1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CCCSC

InChI

InChI=1S/C19H26N4OS2/c1-14-21-22-19(26-14)16-5-3-6-17(13-16)20-18(24)15-7-10-23(11-8-15)9-4-12-25-2/h3,5-6,13,15H,4,7-12H2,1-2H3,(H,20,24)/p+1