[3-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-6-yl)oxy-2-oxidanyl-propyl]-(2-methylpropyl)azanium chloride

Systemtic Name: [3-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-6-yl)oxy-2-oxidanyl-propyl]-(2-methylpropyl)azanium chloride Openeye Name: [3-(7,8-dimethoxy-4-methyl-2-oxo-chromen-6-yl)oxy-2-hydroxy-propyl]-isobutyl-ammonium chloride CAS Name: [3-[(7,8-dimethoxy-4-methyl-2-oxo-1-benzopyran-6-yl)oxy]-2-hydroxypropyl]-(2-methylpropyl)ammonium chloride IUPAC Name: [3-(7,8-dimethoxy-4-methyl-2-oxochromen-6-yl)oxy-2-hydroxypropyl]-(2-methylpropyl)azanium chloride Traditional Name: [2-hydroxy-3-(2-keto-7,8-dimethoxy-4-methyl-chromen-6-yl)oxy-propyl]-isobutyl-ammonium chloride Formula: C19H28ClNO6 MolecularWeight: 401.88172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)OCC(C[NH2+]CC(C)C)O)OC)OC.[Cl-]

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)OCC(C[NH2+]CC(C)C)O)OC)OC.[Cl-]

InChI

InChI=1S/C19H27NO6.ClH/c1-11(2)8-20-9-13(21)10-25-15-7-14-12(3)6-16(22)26-17(14)19(24-5)18(15)23-4;/h6-7,11,13,20-21H,8-10H2,1-5H3;1H