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

Systemtic Name: 3-(2,3-dimethylphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(2,3-dimethylphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(2,3-dimethylphenyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(2,3-dimethylphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(2,3-dimethylphenyl)-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C23H28N3OS+ MolecularWeight: 394.55292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4)C

InChI

InChI=1S/C23H27N3OS/c1-17-9-8-12-21(18(17)2)26-22(27)19-10-4-5-11-20(19)24-23(26)28-16-15-25-13-6-3-7-14-25/h4-5,8-12H,3,6-7,13-16H2,1-2H3/p+1