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

Systemtic Name: [3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium chloride Openeye Name: [3-(3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium chloride CAS Name: [3-[(3-ethoxycarbonyl-2-phenyl-5-benzofuranyl)oxy]-2-hydroxypropyl]-propan-2-ylammonium chloride IUPAC Name: [3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium chloride Traditional Name: [3-(3-carbethoxy-2-phenyl-benzofuran-5-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium chloride Formula: C23H28ClNO5 MolecularWeight: 433.92512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(C[NH2+]C(C)C)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(C[NH2+]C(C)C)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H27NO5.ClH/c1-4-27-23(26)21-19-12-18(28-14-17(25)13-24-15(2)3)10-11-20(19)29-22(21)16-8-6-5-7-9-16;/h5-12,15,17,24-25H,4,13-14H2,1-3H3;1H