1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyrimidinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=CC=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=CC=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N4O4/c25-19(26)13-4-8-23(9-5-13)11-15-18(22-20-21-6-1-7-24(15)20)14-2-3-16-17(10-14)28-12-27-16/h1-3,6-7,10,13H,4-5,8-9,11-12H2,(H,25,26)