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

Systemtic Name: ethyl 5-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-2-carboxylate dichloride Openeye Name: ethyl 5-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-2-carboxylate dichloride CAS Name: 5-methoxy-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-benzofurancarboxylic acid ethyl ester dichloride IUPAC Name: ethyl 5-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-2-carboxylate dichloride Traditional Name: 5-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarilic acid ethyl ester dichloride Formula: C18H26Cl2N2O4 MolecularWeight: 405.31604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4.2ClH/c1-4-23-18(21)17-15(12-20-9-7-19(2)8-10-20)14-11-13(22-3)5-6-16(14)24-17;;/h5-6,11H,4,7-10,12H2,1-3H3;2*1H