3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCCCC4

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCCCC4

InChI

InChI=1S/C19H24N4OS/c1-2-23-18(24)17-16(14-8-4-5-9-15(14)20-17)21-19(23)25-13-12-22-10-6-3-7-11-22/h4-5,8-9,20H,2-3,6-7,10-13H2,1H3/p+1