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

Systemtic Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-benzofurancarboxylate IUPAC Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarilate Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C15H18N2O3/c1-16-6-8-17(9-7-16)10-12-11-4-2-3-5-13(11)20-14(12)15(18)19/h2-5H,6-10H2,1H3,(H,18,19)