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

Systemtic Name: 8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-methyl-3-(2-piperidin-1-ium-1-ylethylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C17H22N5S+ MolecularWeight: 328.45508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C17H21N5S/c1-12-5-6-14-13(11-12)15-16(18-14)19-17(21-20-15)23-10-9-22-7-3-2-4-8-22/h5-6,11H,2-4,7-10H2,1H3,(H,18,19,21)/p+1