2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-N-propyl-ethanamide

Systemtic Name: 2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-propyl-acetamide Formula: C20H32N4O3+2 MolecularWeight: 376.49308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C20H30N4O3/c1-2-6-21-19(25)13-22-20(26)15-24-9-7-23(8-10-24)14-16-3-4-18-17(12-16)5-11-27-18/h3-4,12H,2,5-11,13-15H2,1H3,(H,21,25)(H,22,26)/p+2