(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium Traditional Name: [(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]ammonium Formula: C22H25FNO2+ MolecularWeight: 354.437803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C(C3=CC=C(C=C3)F)C(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@H](C3=CC=C(C=C3)F)C(C)C)C

InChI

InChI=1S/C22H24FNO2/c1-13(2)22(16-5-7-18(23)8-6-16)24-12-17-11-21(25)26-20-10-15(4)14(3)9-19(17)20/h5-11,13,22,24H,12H2,1-4H3/p+1/t22-/m0/s1