6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylpyrido[2,1-b]quinazolin-11-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylpyrido[2,1-b]quinazolin-11-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]pyrido[2,1-b]quinazolin-11-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-11-pyrido[2,1-b]quinazolinone IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]pyrido[2,1-b]quinazolin-11-one Traditional Name: 6-(4-piperonylpiperazin-4-ium-1-carbonyl)pyrido[2,1-b]quinazolin-11-one Formula: C25H23N4O4+ MolecularWeight: 443.47452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CN5C4=NC6=CC=CC=C6C5=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CN5C4=NC6=CC=CC=C6C5=O

InChI

InChI=1S/C25H22N4O4/c30-24(19-5-3-9-29-23(19)26-20-6-2-1-4-18(20)25(29)31)28-12-10-27(11-13-28)15-17-7-8-21-22(14-17)33-16-32-21/h1-9,14H,10-13,15-16H2/p+1