2-morpholin-4-ium-4-ylethyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: 2-morpholin-4-ium-4-ylethyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C16H20NO4+ MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC[NH+]3CCOCC3

InChI

InChI=1S/C16H19NO4/c1-12-13-4-2-3-5-14(13)21-15(12)16(18)20-11-8-17-6-9-19-10-7-17/h2-5H,6-11H2,1H3/p+1