(1-methylpiperidin-1-ium-4-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OC4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OC4CC[NH+](CC4)C

InChI

InChI=1S/C20H21NO3/c1-13-16-8-7-14-5-3-4-6-17(14)19(16)24-18(13)20(22)23-15-9-11-21(2)12-10-15/h3-8,15H,9-12H2,1-2H3/p+1