1-[[3-[3-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide

Systemtic Name: 1-[[3-[3-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide Openeye Name: 1-[[3-[3-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide CAS Name: 1-[[3-[3-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]propoxy]phenyl]methyl]-1-piperidin-1-iumcarbothioamide IUPAC Name: 1-[[3-[3-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide Traditional Name: 1-[3-[3-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]propoxy]benzyl]piperidin-1-ium-1-carbothioamide Formula: C19H29N6OS2+ MolecularWeight: 421.60316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)CCCOC2=CC=CC(=C2)C[N+]3(CCCCC3)C(=S)N

Isomeric SMILES

CSC1=NN(C(=N1)N)CCCOC2=CC=CC(=C2)C[N+]3(CCCCC3)C(=S)N

InChI

InChI=1S/C19H28N6OS2/c1-28-19-22-17(20)24(23-19)9-6-12-26-16-8-5-7-15(13-16)14-25(18(21)27)10-3-2-4-11-25/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H3-,20,21,22,23,27)/p+1