2-[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(3-methylbenzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(3-methylbenzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C23H25N3O3/c1-16-7-9-18(10-8-16)24-21(27)15-25-11-13-26(14-12-25)23(28)22-17(2)19-5-3-4-6-20(19)29-22/h3-10H,11-15H2,1-2H3,(H,24,27)/p+1