(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-methylbutyl)azanium chloride

Systemtic Name: (6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-methylbutyl)azanium chloride Openeye Name: (6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-isopentyl-ammonium chloride CAS Name: (6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl-(3-methylbutyl)ammonium chloride IUPAC Name: (6-chloro-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-(3-methylbutyl)azanium chloride Traditional Name: (6-chloro-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-isoamyl-ammonium chloride Formula: C16H21Cl2NO3 MolecularWeight: 346.24884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClNO3.ClH/c1-9(2)4-5-18-8-12-15(20)13(17)7-11-10(3)6-14(19)21-16(11)12;/h6-7,9,18,20H,4-5,8H2,1-3H3;1H