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

Systemtic Name: 3-(2-methoxyethyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-methoxyethyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-methoxyethyl)-2-(2-piperidin-1-ium-1-ylethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCCCC4

Isomeric SMILES

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCCCC4

InChI

InChI=1S/C20H26N4O2S/c1-26-13-11-24-19(25)18-17(15-7-3-4-8-16(15)21-18)22-20(24)27-14-12-23-9-5-2-6-10-23/h3-4,7-8,21H,2,5-6,9-14H2,1H3/p+1