2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C15H19N4O2+ MolecularWeight: 287.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H18N4O2/c1-11(20)19-8-6-18(7-9-19)10-14-16-13-5-3-2-4-12(13)15(21)17-14/h2-5H,6-10H2,1H3,(H,16,17,21)/p+1