dimethyl-[[5-oxidanyl-3-[(S)-oxidanyl(phenyl)methyl]-1-benzofuran-4-yl]methyl]azanium

Systemtic Name: dimethyl-[[5-oxidanyl-3-[(S)-oxidanyl(phenyl)methyl]-1-benzofuran-4-yl]methyl]azanium Openeye Name: [5-hydroxy-3-[(S)-hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [5-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [5-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [5-hydroxy-3-[(S)-hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C18H20NO3+ MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(C3=CC=CC=C3)O)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)[C@H](C3=CC=CC=C3)O)O

InChI

InChI=1S/C18H19NO3/c1-19(2)10-13-15(20)8-9-16-17(13)14(11-22-16)18(21)12-6-4-3-5-7-12/h3-9,11,18,20-21H,10H2,1-2H3/p+1/t18-/m0/s1