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

Systemtic Name: ethyl 5-methoxy-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-methoxy-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)CN3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)CN3CC[NH+](CC3)C

InChI

InChI=1S/C18H24N2O4/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/p+1