2-piperidin-1-ium-1-ylethyl 5-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 5-methyl-1-benzofuran-2-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl 5-methylbenzofuran-2-carboxylate CAS Name: 5-methyl-2-benzofurancarboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 5-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methylcoumarilic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2)C(=O)OCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2)C(=O)OCC[NH+]3CCCCC3

InChI

InChI=1S/C17H21NO3/c1-13-5-6-15-14(11-13)12-16(21-15)17(19)20-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10H2,1H3/p+1