7-chloranyl-3-(2-methoxyphenyl)-2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(2-methoxyphenyl)-2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(2-methoxyphenyl)-2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(2-methoxyphenyl)-2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methoxyphenyl)-2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(2-methoxyphenyl)-2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylthio]quinazolin-4-one Formula: C22H22ClN4O2S+ MolecularWeight: 441.95368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CCCSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=CC=C4OC

Isomeric SMILES

CC1=[N+](C=CN1)CCCSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=CC=C4OC

InChI

InChI=1S/C22H21ClN4O2S/c1-15-24-10-12-26(15)11-5-13-30-22-25-18-14-16(23)8-9-17(18)21(28)27(22)19-6-3-4-7-20(19)29-2/h3-4,6-10,12,14H,5,11,13H2,1-2H3/p+1