6,7-dimethoxy-2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(3-oxopiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[(3-oxo-1-piperazin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(3-oxopiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(3-ketopiperazin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C15H19N4O4+ MolecularWeight: 319.33576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCNC(=O)C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCNC(=O)C3)OC

InChI

InChI=1S/C15H18N4O4/c1-22-11-5-9-10(6-12(11)23-2)17-13(18-15(9)21)7-19-4-3-16-14(20)8-19/h5-6H,3-4,7-8H2,1-2H3,(H,16,20)(H,17,18,21)/p+1