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

Systemtic Name: [3-[(S)-(4-methoxyphenyl)-oxidanyl-methyl]-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [5-hydroxy-3-[(S)-hydroxy-(4-methoxyphenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [5-hydroxy-3-[(S)-hydroxy-(4-methoxyphenyl)methyl]-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [5-hydroxy-3-[(S)-hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [5-hydroxy-3-[(S)-hydroxy-(4-methoxyphenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C19H22NO4+ MolecularWeight: 328.38228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-20(2)10-14-16(21)8-9-17-18(14)15(11-24-17)19(22)12-4-6-13(23-3)7-5-12/h4-9,11,19,21-22H,10H2,1-3H3/p+1/t19-/m0/s1