ethyl 5-methoxy-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1-benzofuran-2-carboxylate dichloride

Systemtic Name: ethyl 5-methoxy-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1-benzofuran-2-carboxylate dichloride Openeye Name: ethyl 5-methoxy-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzofuran-2-carboxylate dichloride CAS Name: 5-methoxy-3-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester dichloride IUPAC Name: ethyl 5-methoxy-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate dichloride Traditional Name: 5-methoxy-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]coumarilic acid ethyl ester dichloride Formula: C19H27Cl2N3O5 MolecularWeight: 448.34078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)NC(=O)C[NH+]3CC[NH+](CC3)C.[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)NC(=O)C[NH+]3CC[NH+](CC3)C.[Cl-].[Cl-]

InChI

InChI=1S/C19H25N3O5.2ClH/c1-4-26-19(24)18-17(14-11-13(25-3)5-6-15(14)27-18)20-16(23)12-22-9-7-21(2)8-10-22;;/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23);2*1H