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

Systemtic Name: 5-ethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-ethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 5-ethyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-ethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-ethyl-3-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C18H24N5S+ MolecularWeight: 342.48166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C18H23N5S/c1-2-23-15-9-5-4-8-14(15)16-17(23)19-18(21-20-16)24-13-12-22-10-6-3-7-11-22/h4-5,8-9H,2-3,6-7,10-13H2,1H3/p+1