ethyl 7-methyl-3-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 7-methyl-3-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 7-methyl-3-(piperidin-1-ium-1-ylmethyl)benzofuran-2-carboxylate CAS Name: 7-methyl-3-(1-piperidin-1-iumylmethyl)-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-3-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 7-methyl-3-(piperidin-1-ium-1-ylmethyl)coumarilic acid ethyl ester Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C(=CC=C2)C)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C(=CC=C2)C)C[NH+]3CCCCC3

InChI

InChI=1S/C18H23NO3/c1-3-21-18(20)17-15(12-19-10-5-4-6-11-19)14-9-7-8-13(2)16(14)22-17/h7-9H,3-6,10-12H2,1-2H3/p+1