(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: (3-fluorobenzyl)-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-methyl-ammonium Formula: C20H21FNO2+ MolecularWeight: 326.384643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C20H20FNO2/c1-13-7-18-16(10-20(23)24-19(18)8-14(13)2)12-22(3)11-15-5-4-6-17(21)9-15/h4-10H,11-12H2,1-3H3/p+1