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

Systemtic Name: 3-methyl-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-methyl-5-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-methyl-5-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-benzofurancarboxylate IUPAC Name: 3-methyl-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarilate Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CN3CC[NH+](CC3)C)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CN3CC[NH+](CC3)C)C(=O)[O-]

InChI

InChI=1S/C16H20N2O3/c1-11-13-9-12(10-18-7-5-17(2)6-8-18)3-4-14(13)21-15(11)16(19)20/h3-4,9H,5-8,10H2,1-2H3,(H,19,20)