[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(3-methylbutyl)azanium chloride

Systemtic Name: [3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(3-methylbutyl)azanium chloride Openeye Name: [7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl-isopentyl-ammonium chloride CAS Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-(3-methylbutyl)ammonium chloride IUPAC Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl-(3-methylbutyl)azanium chloride Traditional Name: [7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-isoamyl-ammonium chloride Formula: C19H26ClNO5 MolecularWeight: 383.86644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCC(C)C)O)CC(=O)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCC(C)C)O)CC(=O)OC.[Cl-]

InChI

InChI=1S/C19H25NO5.ClH/c1-11(2)7-8-20-10-15-16(21)6-5-13-12(3)14(9-17(22)24-4)19(23)25-18(13)15;/h5-6,11,20-21H,7-10H2,1-4H3;1H