N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)ethanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(6-methylbenzofuran-3-yl)acetamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(6-methyl-3-benzofuranyl)acetamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(6-methylbenzofuran-3-yl)acetamide Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=C(C=CC(=C3)Cl)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=C(C=CC(=C3)Cl)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H24ClN3O2/c1-15-3-5-18-16(14-28-21(18)11-15)12-22(27)24-19-13-17(23)4-6-20(19)26-9-7-25(2)8-10-26/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,24,27)/p+1