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

Systemtic Name: 8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-propyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-propyl-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-5-propyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-propyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-methyl-3-(2-piperidin-1-ium-1-ylethylthio)-5-propyl-[1,2,4]triazin[5,6-b]indole Formula: C20H28N5S+ MolecularWeight: 370.53482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C20H27N5S/c1-3-9-25-17-8-7-15(2)14-16(17)18-19(25)21-20(23-22-18)26-13-12-24-10-5-4-6-11-24/h7-8,14H,3-6,9-13H2,1-2H3/p+1