2-(1,3-benzodioxol-5-yl)-4-[[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(2-furylmethyl)piperazin-4-ium-1-yl]methyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(2-furfuryl)piperazin-4-ium-1-yl]methyl]thiazole Formula: C20H22N3O3S+ MolecularWeight: 384.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N3O3S/c1-2-17(24-9-1)12-23-7-5-22(6-8-23)11-16-13-27-20(21-16)15-3-4-18-19(10-15)26-14-25-18/h1-4,9-10,13H,5-8,11-12,14H2/p+1