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

Systemtic Name: 9-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[6,5-b]indole Openeye Name: 9-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[6,5-b]indole CAS Name: 9-methyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-[1,2,4]triazino[6,5-b]indole IUPAC Name: 9-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[6,5-b]indole Traditional Name: 9-methyl-3-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazin[6,5-b]indole Formula: C17H22N5S+ MolecularWeight: 328.45508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1N=NC(=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1N=NC(=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C17H21N5S/c1-21-14-8-4-3-7-13(14)15-16(21)19-20-17(18-15)23-12-11-22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-12H2,1H3/p+1