ethyl 5-bromanyl-3-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(morpholin-4-ium-4-ylmethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-(4-morpholin-4-iumylmethyl)-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-(morpholin-4-ium-4-ylmethyl)coumarilic acid ethyl ester Formula: C16H19BrNO4+ MolecularWeight: 369.23036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CCOCC3

InChI

InChI=1S/C16H18BrNO4/c1-2-21-16(19)15-13(10-18-5-7-20-8-6-18)12-9-11(17)3-4-14(12)22-15/h3-4,9H,2,5-8,10H2,1H3/p+1