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

Systemtic Name: 5-bromanyl-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]coumarilamide Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24BrN3O2/c1-16-19-15-17(23)7-8-20(19)28-21(16)22(27)24-9-10-25-11-13-26(14-12-25)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,24,27)/p+1