5-bromanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide bromide

Systemtic Name: 5-bromanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide bromide Openeye Name: 5-bromo-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzofuran-2-carboxamide bromide CAS Name: 5-bromo-N-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-benzofurancarboxamide bromide IUPAC Name: 5-bromo-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide bromide Traditional Name: 5-bromo-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]coumarilamide bromide Formula: C20H20Br2N2O3 MolecularWeight: 496.1924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br.[Br-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br.[Br-]

InChI

InChI=1S/C20H19BrN2O3.BrH/c21-16-3-6-18-15(11-16)12-19(26-18)20(24)22-17-4-1-14(2-5-17)13-23-7-9-25-10-8-23;/h1-6,11-12H,7-10,13H2,(H,22,24);1H