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

Systemtic Name: 3-butyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-butyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-butyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-butyl-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C19H28N3OS+ MolecularWeight: 346.51012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

InChI

InChI=1S/C19H27N3OS/c1-2-3-13-22-18(23)16-9-5-6-10-17(16)20-19(22)24-15-14-21-11-7-4-8-12-21/h5-6,9-10H,2-4,7-8,11-15H2,1H3/p+1