2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(4-piperonylpiperazino)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H21N4O3+ MolecularWeight: 365.40574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C20H20N4O3/c25-20-12-19(21-18-3-1-2-6-24(18)20)23-9-7-22(8-10-23)13-15-4-5-16-17(11-15)27-14-26-16/h1-6,11-12H,7-10,13-14H2/p+1