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

Systemtic Name: 5-butyl-8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-butyl-8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 5-butyl-8-methyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-butyl-8-methyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-butyl-8-methyl-3-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C21H30N5S+ MolecularWeight: 384.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCC[NH+]4CCCCC4

InChI

InChI=1S/C21H29N5S/c1-3-4-12-26-18-9-8-16(2)15-17(18)19-20(26)22-21(24-23-19)27-14-13-25-10-6-5-7-11-25/h8-9,15H,3-7,10-14H2,1-2H3/p+1