N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C24H27N4O3S+ MolecularWeight: 451.56118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=N5

InChI

InChI=1S/C24H26N4O3S/c29-24(18-26-9-11-27(12-10-26)23-5-1-2-8-25-23)28(17-20-4-3-15-32-20)19-6-7-21-22(16-19)31-14-13-30-21/h1-8,15-16H,9-14,17-18H2/p+1