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

Systemtic Name: 1-[[3-[3-(5-azanyl-3-piperidin-3-yl-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide Openeye Name: 1-[[3-[3-[5-amino-3-(3-piperidyl)-1,2,4-triazol-1-yl]propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide CAS Name: 1-[[3-[3-[5-amino-3-(3-piperidinyl)-1,2,4-triazol-1-yl]propoxy]phenyl]methyl]-1-piperidin-1-iumcarbothioamide IUPAC Name: 1-[[3-[3-(5-amino-3-piperidin-3-yl-1,2,4-triazol-1-yl)propoxy]phenyl]methyl]piperidin-1-ium-1-carbothioamide Traditional Name: 1-[3-[3-[5-amino-3-(3-piperidyl)-1,2,4-triazol-1-yl]propoxy]benzyl]piperidin-1-ium-1-carbothioamide Formula: C23H36N7OS+ MolecularWeight: 458.64324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC(=CC=C2)OCCCN3C(=NC(=N3)C4CCCNC4)N)C(=S)N

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC(=CC=C2)OCCCN3C(=NC(=N3)C4CCCNC4)N)C(=S)N

InChI

InChI=1S/C23H35N7OS/c24-22-27-21(19-8-5-10-26-16-19)28-29(22)11-6-14-31-20-9-4-7-18(15-20)17-30(23(25)32)12-2-1-3-13-30/h4,7,9,15,19,26H,1-3,5-6,8,10-14,16-17H2,(H3-,24,25,27,28,32)/p+1