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

Systemtic Name: ethyl 3-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(piperidin-1-ium-1-ylmethyl)benzofuran-2-carboxylate CAS Name: 3-(1-piperidin-1-iumylmethyl)-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)coumarilic acid ethyl ester Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCCCC3

InChI

InChI=1S/C17H21NO3/c1-2-20-17(19)16-14(12-18-10-6-3-7-11-18)13-8-4-5-9-15(13)21-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3/p+1