[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl-(2-methoxyethyl)azanium chloride

Systemtic Name: [6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl-(2-methoxyethyl)azanium chloride Openeye Name: (3-benzyl-6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-(2-methoxyethyl)ammonium chloride CAS Name: [6-chloro-7-hydroxy-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-8-yl]methyl-(2-methoxyethyl)ammonium chloride IUPAC Name: (3-benzyl-6-chloro-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-(2-methoxyethyl)azanium chloride Traditional Name: (3-benzyl-6-chloro-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-(2-methoxyethyl)ammonium chloride Formula: C21H23Cl2NO4 MolecularWeight: 424.31762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCOC)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCOC)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H22ClNO4.ClH/c1-13-15-11-18(22)19(24)17(12-23-8-9-26-2)20(15)27-21(25)16(13)10-14-6-4-3-5-7-14;/h3-7,11,23-24H,8-10,12H2,1-2H3;1H