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

Systemtic Name: [(2S)-3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-oxidanyl-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-(3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl)oxy-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[(3-ethoxycarbonyl-2-phenyl-5-benzofuranyl)oxy]-2-hydroxypropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-hydroxypropyl]-methylazanium Traditional Name: benzyl-[(2S)-3-(3-carbethoxy-2-phenyl-benzofuran-5-yl)oxy-2-hydroxy-propyl]-methyl-ammonium Formula: C28H30NO5+ MolecularWeight: 460.5415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(C[NH+](C)CC3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC[C@H](C[NH+](C)CC3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO5/c1-3-32-28(31)26-24-16-23(14-15-25(24)34-27(26)21-12-8-5-9-13-21)33-19-22(30)18-29(2)17-20-10-6-4-7-11-20/h4-16,22,30H,3,17-19H2,1-2H3/p+1/t22-/m0/s1