ethyl 5-acetyloxy-6-bromanyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C24H26BrN2O5+ MolecularWeight: 502.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C)Br)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C)Br)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25BrN2O5/c1-3-30-24(29)23-18-13-21(31-16(2)28)19(25)14-20(18)32-22(23)15-26-9-11-27(12-10-26)17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15H2,1-2H3/p+1