[3-(3-ethoxycarbonyl-2-methyl-benzo[g][1]benzofuran-6-yl)oxy-2-oxidanyl-propyl]-propan-2-yl-azanium chloride

Systemtic Name: [3-(3-ethoxycarbonyl-2-methyl-benzo[g][1]benzofuran-6-yl)oxy-2-oxidanyl-propyl]-propan-2-yl-azanium chloride Openeye Name: [3-(3-ethoxycarbonyl-2-methyl-benzo[g]benzofuran-6-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium chloride CAS Name: [3-[(3-ethoxycarbonyl-2-methyl-6-benzo[g]benzofuranyl)oxy]-2-hydroxypropyl]-propan-2-ylammonium chloride IUPAC Name: [3-(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-6-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride Traditional Name: [3-(3-carbethoxy-2-methyl-benzo[g]benzofuran-6-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium chloride Formula: C22H28ClNO5 MolecularWeight: 421.91442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=CC3=C2C=CC=C3OCC(C[NH2+]C(C)C)O)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=CC3=C2C=CC=C3OCC(C[NH2+]C(C)C)O)C.[Cl-]

InChI

InChI=1S/C22H27NO5.ClH/c1-5-26-22(25)20-14(4)28-21-17-7-6-8-19(16(17)9-10-18(20)21)27-12-15(24)11-23-13(2)3;/h6-10,13,15,23-24H,5,11-12H2,1-4H3;1H