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

Systemtic Name: 8-methoxy-5-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-methoxy-5-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methoxy-5-methyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-methoxy-5-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-methoxy-5-methyl-3-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C18H23N5OS/c1-22-15-7-6-13(24-2)12-14(15)16-17(22)19-18(21-20-16)25-11-10-23-8-4-3-5-9-23/h6-7,12H,3-5,8-11H2,1-2H3/p+1