2-[[4-[2-(4-oxidanylidenequinazolin-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[2-(4-oxidanylidenequinazolin-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-(4-oxoquinazolin-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[2-(4-oxo-3-quinazolinyl)ethylsulfonyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-(4-oxoquinazolin-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(4-ketoquinazolin-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H25N6O4S+ MolecularWeight: 481.5474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)CCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)CCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H24N6O4S/c30-22-17-5-1-4-8-20(17)25-21(26-22)15-27-9-11-29(12-10-27)34(32,33)14-13-28-16-24-19-7-3-2-6-18(19)23(28)31/h1-8,16H,9-15H2,(H,25,26,30)/p+1