2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[2-(4-morpholin-4-iumyl)ethylthio]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-(2-morpholin-4-ium-4-ylethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCOCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCOCC4

InChI

InChI=1S/C19H22N4O2S/c1-2-7-23-18(24)17-16(14-5-3-4-6-15(14)20-17)21-19(23)26-13-10-22-8-11-25-12-9-22/h2-6,20H,1,7-13H2/p+1