3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine Openeye Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine CAS Name: 3-[2-(1-piperidin-1-iumyl)ethylthio]-[1,2,4]triazolo[4,3-a]pyridin-6-amine IUPAC Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine Traditional Name: [3-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amine Formula: C13H20N5S+ MolecularWeight: 278.3964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C3N2C=C(C=C3)N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C3N2C=C(C=C3)N

InChI

InChI=1S/C13H19N5S/c14-11-4-5-12-15-16-13(18(12)10-11)19-9-8-17-6-2-1-3-7-17/h4-5,10H,1-3,6-9,14H2/p+1