2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4)C

InChI

InChI=1S/C23H29N3O2/c1-17-4-3-5-21(18(17)2)24-23(27)16-26-11-9-25(10-12-26)15-19-6-7-22-20(14-19)8-13-28-22/h3-7,14H,8-13,15-16H2,1-2H3,(H,24,27)/p+1