N-[5-chloranyl-2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-chloro-2-(4-methylbenzoyl)benzofuran-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-chloro-2-[(4-methylphenyl)-oxomethyl]-3-benzofuranyl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-chloro-2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-chloro-2-p-toluoyl-benzofuran-3-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C23H25ClN3O3+ MolecularWeight: 426.9159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)NC(=O)C[NH+]4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)NC(=O)C[NH+]4CCN(CC4)C

InChI

InChI=1S/C23H24ClN3O3/c1-15-3-5-16(6-4-15)22(29)23-21(18-13-17(24)7-8-19(18)30-23)25-20(28)14-27-11-9-26(2)10-12-27/h3-8,13H,9-12,14H2,1-2H3,(H,25,28)/p+1