(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-6-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-6-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-hydroxy-4,7-dimethyl-2-oxo-chromen-6-yl)methyl]-methyl-ammonium CAS Name: (5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-6-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-hydroxy-4,7-dimethyl-2-oxochromen-6-yl)methyl]-methylazanium Traditional Name: benzyl-[(5-hydroxy-2-keto-4,7-dimethyl-chromen-6-yl)methyl]-methyl-ammonium Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1C[NH+](C)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1C[NH+](C)CC3=CC=CC=C3)O

InChI

InChI=1S/C20H21NO3/c1-13-9-17-19(14(2)10-18(22)24-17)20(23)16(13)12-21(3)11-15-7-5-4-6-8-15/h4-10,23H,11-12H2,1-3H3/p+1