5-bromanyl-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]coumarilamide Formula: C22H24BrN2O3+ MolecularWeight: 444.34156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23BrN2O3/c1-15-18-13-17(23)7-8-20(18)28-21(15)22(26)24-19(16-5-3-2-4-6-16)14-25-9-11-27-12-10-25/h2-8,13,19H,9-12,14H2,1H3,(H,24,26)/p+1/t19-/m1/s1