3-(2-methoxy-5-methyl-phenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(2-methoxy-5-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(2-methoxy-5-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(2-methoxy-5-methyl-phenyl)-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O3S/c1-16-7-8-20(27-2)19(15-16)25-21(26)17-5-3-4-6-18(17)23-22(25)29-14-11-24-9-12-28-13-10-24/h3-8,15H,9-14H2,1-2H3/p+1