3-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(2-methoxyphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O3S/c1-26-19-9-5-4-8-18(19)24-20(25)16-6-2-3-7-17(16)22-21(24)28-15-12-23-10-13-27-14-11-23/h2-9H,10-15H2,1H3/p+1