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

Systemtic Name: 3-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 2-(2-morpholin-4-ium-4-ylethylthio)-3-(p-tolyl)quinazolin-4-one Formula: C21H24N3O2S+ MolecularWeight: 382.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-16-6-8-17(9-7-16)24-20(25)18-4-2-3-5-19(18)22-21(24)27-15-12-23-10-13-26-14-11-23/h2-9H,10-15H2,1H3/p+1