2-(1,3-benzodioxol-5-yl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C19H20N5O2S+ MolecularWeight: 382.4594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=NC=CC=N5

InChI

InChI=1S/C19H19N5O2S/c1-4-20-19(21-5-1)24-8-6-23(7-9-24)11-15-12-27-18(22-15)14-2-3-16-17(10-14)26-13-25-16/h1-5,10,12H,6-9,11,13H2/p+1