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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCSC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

C1CC[NH+](CC1)CCCSC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C17H21N5S/c1-4-9-22(10-5-1)11-6-12-23-17-19-16-15(20-21-17)13-7-2-3-8-14(13)18-16/h2-3,7-8H,1,4-6,9-12H2,(H,18,19,21)/p+1