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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCN(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+1