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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Formula: C25H35N3O2+2 MolecularWeight: 409.5643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c1-2-21(22-6-4-3-5-7-22)17-26-25(29)19-28-13-11-27(12-14-28)18-20-8-9-24-23(16-20)10-15-30-24/h3-9,16,21H,2,10-15,17-19H2,1H3,(H,26,29)/p+2/t21-/m1/s1