[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(3-thienyl)thiazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[2-(3-thiophenyl)-4-thiazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-[2-(3-thienyl)thiazol-4-yl]methanone Formula: C20H20N3O3S2+ MolecularWeight: 414.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)C5=CSC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)C5=CSC=C5

InChI

InChI=1S/C20H19N3O3S2/c24-20(16-12-28-19(21-16)15-3-8-27-11-15)23-6-4-22(5-7-23)10-14-1-2-17-18(9-14)26-13-25-17/h1-3,8-9,11-12H,4-7,10,13H2/p+1