3-(2-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(2-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(2-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(2-methoxyphenyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(2-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(2-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C22H26N3O2S+ MolecularWeight: 396.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-27-20-12-6-5-11-19(20)25-21(26)17-9-3-4-10-18(17)23-22(25)28-16-15-24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-16H2,1H3/p+1