[(S)-(3-bromanyl-4-methoxy-phenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]azanium

Systemtic Name: [(S)-(3-bromanyl-4-methoxy-phenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]azanium Openeye Name: [(S)-(3-bromo-4-methoxy-phenyl)-[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]ammonium CAS Name: [(S)-(3-bromo-4-methoxyphenyl)-[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]ammonium IUPAC Name: [(S)-(3-bromo-4-methoxyphenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]azanium Traditional Name: [(S)-(3-bromo-4-methoxy-phenyl)-[(2R)-coumaran-2-yl]methyl]ammonium Formula: C16H17BrNO2+ MolecularWeight: 335.21568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2CC3=CC=CC=C3O2)[NH3+])Br

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H]2CC3=CC=CC=C3O2)[NH3+])Br

InChI

InChI=1S/C16H16BrNO2/c1-19-14-7-6-11(8-12(14)17)16(18)15-9-10-4-2-3-5-13(10)20-15/h2-8,15-16H,9,18H2,1H3/p+1/t15-,16+/m1/s1