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

Systemtic Name: 8-ethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-ethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 8-ethyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-ethyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-ethyl-3-(2-piperidin-1-ium-1-ylethylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C18H24N5S+ MolecularWeight: 342.48166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C18H23N5S/c1-2-13-6-7-15-14(12-13)16-17(19-15)20-18(22-21-16)24-11-10-23-8-4-3-5-9-23/h6-7,12H,2-5,8-11H2,1H3,(H,19,20,22)/p+1