ethyl 2-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate dihydrochloride

Systemtic Name: ethyl 2-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate dihydrochloride Openeye Name: ethyl 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-carboxylate dihydrochloride CAS Name: 5-hydroxy-2-[(4-methyl-1-piperazinyl)methyl]-3-benzofurancarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate dihydrochloride Traditional Name: 5-hydroxy-2-[(4-methylpiperazino)methyl]benzofuran-3-carboxylic acid ethyl ester dihydrochloride Formula: C17H24Cl2N2O4 MolecularWeight: 391.28946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CN3CCN(CC3)C.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CN3CCN(CC3)C.Cl.Cl

InChI

InChI=1S/C17H22N2O4.2ClH/c1-3-22-17(21)16-13-10-12(20)4-5-14(13)23-15(16)11-19-8-6-18(2)7-9-19;;/h4-5,10,20H,3,6-9,11H2,1-2H3;2*1H