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

Systemtic Name: methyl-[(3-methyl-7-oxidanyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl]azanium chloride Openeye Name: (7-hydroxy-3-methyl-4-oxo-2-phenyl-chromen-8-yl)methyl-methyl-ammonium chloride CAS Name: (7-hydroxy-3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)methyl-methylammonium chloride IUPAC Name: (7-hydroxy-3-methyl-4-oxo-2-phenylchromen-8-yl)methyl-methylazanium chloride Traditional Name: (7-hydroxy-4-keto-3-methyl-2-phenyl-chromen-8-yl)methyl-methyl-ammonium chloride Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC(=C2C[NH2+]C)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2C[NH2+]C)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H17NO3.ClH/c1-11-16(21)13-8-9-15(20)14(10-19-2)18(13)22-17(11)12-6-4-3-5-7-12;/h3-9,19-20H,10H2,1-2H3;1H