5-ethyl-8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-ethyl-8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-ethyl-8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 5-ethyl-8-methyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-ethyl-8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-ethyl-8-methyl-3-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C19H26N5S+ MolecularWeight: 356.50824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C19H25N5S/c1-3-24-16-8-7-14(2)13-15(16)17-18(24)20-19(22-21-17)25-12-11-23-9-5-4-6-10-23/h7-8,13H,3-6,9-12H2,1-2H3/p+1