2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]-1H-quinazolin-4-one Formula: C23H25N4O4+ MolecularWeight: 421.469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H24N4O4/c28-22(8-7-21-24-18-4-2-1-3-17(18)23(29)25-21)27-11-9-26(10-12-27)14-16-5-6-19-20(13-16)31-15-30-19/h1-6,13H,7-12,14-15H2,(H,24,25,29)/p+1