3-(2-piperidin-1-ium-1-ylethylsulfanyl)-9H-[1,2,4]triazino[6,5-b]indole

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-9H-[1,2,4]triazino[6,5-b]indole Openeye Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-9H-[1,2,4]triazino[6,5-b]indole CAS Name: 3-[2-(1-piperidin-1-iumyl)ethylthio]-9H-[1,2,4]triazino[6,5-b]indole IUPAC Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-9H-[1,2,4]triazino[6,5-b]indole Traditional Name: 3-(2-piperidin-1-ium-1-ylethylthio)-9H-[1,2,4]triazin[6,5-b]indole Formula: C16H20N5S+ MolecularWeight: 314.4285

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=C(NC4=CC=CC=C43)N=N2

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=C(NC4=CC=CC=C43)N=N2

InChI

InChI=1S/C16H19N5S/c1-4-8-21(9-5-1)10-11-22-16-18-14-12-6-2-3-7-13(12)17-15(14)19-20-16/h2-3,6-7H,1,4-5,8-11H2,(H,17,19)/p+1