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

Systemtic Name: [6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[[6-chloro-7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl]ammonium chloride CAS Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[[6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl]azanium chloride Traditional Name: benzyl-[[6-chloro-7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl]ammonium chloride Formula: C21H21Cl2NO5 MolecularWeight: 438.30114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5.ClH/c1-12-14-8-17(22)19(25)16(11-23-10-13-6-4-3-5-7-13)20(14)28-21(26)15(12)9-18(24)27-2;/h3-8,23,25H,9-11H2,1-2H3;1H