ethyl 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-hydroxy-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C23H28N2O4+2 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+]3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+]3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4/c1-3-28-23(27)21-20-17(15-25-13-11-24(2)12-14-25)18(26)9-10-19(20)29-22(21)16-7-5-4-6-8-16/h4-10,26H,3,11-15H2,1-2H3/p+2