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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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