(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: (5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (5-bromo-2-carbethoxy-benzofuran-3-yl)methyl-[(1R)-1-phenylethyl]ammonium Formula: C20H21BrNO3+ MolecularWeight: 403.28964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH2+][C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO3/c1-3-24-20(23)19-17(16-11-15(21)9-10-18(16)25-19)12-22-13(2)14-7-5-4-6-8-14/h4-11,13,22H,3,12H2,1-2H3/p+1/t13-/m1/s1