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

Systemtic Name: 5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[(4-ethyl-1-piperazin-4-iumyl)methyl]-3-methyl-2-benzofurancarboxylate IUPAC Name: 5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-methyl-coumarilate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OC(=C3C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OC(=C3C)C(=O)[O-]

InChI

InChI=1S/C17H22N2O3/c1-3-18-6-8-19(9-7-18)11-13-4-5-15-14(10-13)12(2)16(22-15)17(20)21/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,21)