[(2S)-3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2S)-3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2S)-3-(3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl)oxy-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [(2S)-3-[(3-ethoxycarbonyl-2-phenyl-5-benzofuranyl)oxy]-2-hydroxypropyl]-dimethylammonium IUPAC Name: [(2S)-3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-hydroxypropyl]-dimethylazanium Traditional Name: [(2S)-3-(3-carbethoxy-2-phenyl-benzofuran-5-yl)oxy-2-hydroxy-propyl]-dimethyl-ammonium Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(C[NH+](C)C)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC[C@H](C[NH+](C)C)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO5/c1-4-26-22(25)20-18-12-17(27-14-16(24)13-23(2)3)10-11-19(18)28-21(20)15-8-6-5-7-9-15/h5-12,16,24H,4,13-14H2,1-3H3/p+1/t16-/m0/s1