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

Systemtic Name: ethyl 5-oxidanyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-(1-pyrrolidin-1-iumylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C16H20NO4+ MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCCC3

InChI

InChI=1S/C16H19NO4/c1-2-20-16(19)15-12-9-11(18)5-6-13(12)21-14(15)10-17-7-3-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3/p+1