5-bromanyl-3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[[1-(4-methyl-1-piperazin-4-iumyl)cyclohexyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]coumarilamide Formula: C22H31BrN3O2+ MolecularWeight: 449.40444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC3(CCCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC3(CCCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H30BrN3O2/c1-16-18-14-17(23)6-7-19(18)28-20(16)21(27)24-15-22(8-4-3-5-9-22)26-12-10-25(2)11-13-26/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,24,27)/p+1