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

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-allyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 3-[2-(1-piperidin-1-iumyl)ethylthio]-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-allyl-3-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C19H24N5S+ MolecularWeight: 354.49236

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C19H23N5S/c1-2-10-24-16-9-5-4-8-15(16)17-18(24)20-19(22-21-17)25-14-13-23-11-6-3-7-12-23/h2,4-5,8-9H,1,3,6-7,10-14H2/p+1