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

Systemtic Name: 1-[[3-[3-(5-azanyl-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide Openeye Name: 1-[[3-[3-(5-amino-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide CAS Name: 1-[[3-[3-(5-amino-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]-1-piperidin-1-iumcarbothioamide IUPAC Name: 1-[[3-[3-(5-amino-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide Traditional Name: 1-[3-[3-(5-amino-1,2,4-triazol-1-yl)propoxy]benzyl]piperidin-1-ium-1-carbothioamide Formula: C18H27N6OS+ MolecularWeight: 375.51158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC(=CC=C2)OCCCN3C(=NC=N3)N)C(=S)N

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC(=CC=C2)OCCCN3C(=NC=N3)N)C(=S)N

InChI

InChI=1S/C18H26N6OS/c19-17-21-14-22-23(17)8-5-11-25-16-7-4-6-15(12-16)13-24(18(20)26)9-2-1-3-10-24/h4,6-7,12,14H,1-3,5,8-11,13H2,(H3-,19,20,21,22,26)/p+1