ethyl 5-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-(1-piperidin-1-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C17H22NO4+ MolecularWeight: 304.36088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H21NO4/c1-2-21-17(20)16-13-10-12(19)6-7-14(13)22-15(16)11-18-8-4-3-5-9-18/h6-7,10,19H,2-5,8-9,11H2,1H3/p+1