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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C20H27N5S/c1-2-3-13-25-17-10-6-5-9-16(17)18-19(25)21-20(23-22-18)26-15-14-24-11-7-4-8-12-24/h5-6,9-10H,2-4,7-8,11-15H2,1H3/p+1