[3-(9-methoxy-2-methyl-4-oxidanylidene-furo[3,2-g]chromen-5-yl)oxy-2-oxidanyl-propyl]-(phenylmethyl)-propan-2-yl-azanium chloride

Systemtic Name: [3-(9-methoxy-2-methyl-4-oxidanylidene-furo[3,2-g]chromen-5-yl)oxy-2-oxidanyl-propyl]-(phenylmethyl)-propan-2-yl-azanium chloride Openeye Name: benzyl-[2-hydroxy-3-(9-methoxy-2-methyl-4-oxo-furo[3,2-g]chromen-5-yl)oxy-propyl]-isopropyl-ammonium chloride CAS Name: [2-hydroxy-3-[(9-methoxy-2-methyl-4-oxo-5-furo[3,2-g][1]benzopyranyl)oxy]propyl]-(phenylmethyl)-propan-2-ylammonium chloride IUPAC Name: benzyl-[2-hydroxy-3-(9-methoxy-2-methyl-4-oxofuro[3,2-g]chromen-5-yl)oxypropyl]-propan-2-ylazanium chloride Traditional Name: benzyl-[2-hydroxy-3-(4-keto-9-methoxy-2-methyl-furo[3,2-g]chromen-5-yl)oxy-propyl]-isopropyl-ammonium chloride Formula: C26H30ClNO6 MolecularWeight: 487.9725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C(=C3C(=C(C=CO3)OCC(C[NH+](CC4=CC=CC=C4)C(C)C)O)C2=O)OC.[Cl-]

Isomeric SMILES

CC1=CC2=C(O1)C(=C3C(=C(C=CO3)OCC(C[NH+](CC4=CC=CC=C4)C(C)C)O)C2=O)OC.[Cl-]

InChI

InChI=1S/C26H29NO6.ClH/c1-16(2)27(13-18-8-6-5-7-9-18)14-19(28)15-32-21-10-11-31-25-22(21)23(29)20-12-17(3)33-24(20)26(25)30-4;/h5-12,16,19,28H,13-15H2,1-4H3;1H