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

Systemtic Name: ethyl 2-[(4-methylpiperazin-1-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-3-22-17(21)16-13-10-12(20)4-5-14(13)23-15(16)11-19-8-6-18(2)7-9-19/h4-5,10,20H,3,6-9,11H2,1-2H3/p+1