N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(3-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[4-(3-thiophenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(3-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H24N4O4S+2 MolecularWeight: 404.48326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CSC=C2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CSC=C2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N4O4S/c24-18(11-23-6-4-22(5-7-23)10-14-3-8-28-12-14)21-19(25)20-15-1-2-16-17(9-15)27-13-26-16/h1-3,8-9,12H,4-7,10-11,13H2,(H2,20,21,24,25)/p+2