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

Systemtic Name: ethyl 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-2-carboxylate dichloride Openeye Name: ethyl 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-2-carboxylate dichloride CAS Name: 3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-benzofurancarboxylic acid ethyl ester dichloride IUPAC Name: ethyl 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-2-carboxylate dichloride Traditional Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarilic acid ethyl ester dichloride Formula: C17H24Cl2N2O3 MolecularWeight: 375.29006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CC[NH+](CC3)C.[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CC[NH+](CC3)C.[Cl-].[Cl-]

InChI

InChI=1S/C17H22N2O3.2ClH/c1-3-21-17(20)16-14(12-19-10-8-18(2)9-11-19)13-6-4-5-7-15(13)22-16;;/h4-7H,3,8-12H2,1-2H3;2*1H