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

Systemtic Name: ethyl 5-methoxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-methoxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-methoxy-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-methoxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C18H26N2O4+2 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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