(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C20H20ClFNO3+ MolecularWeight: 376.829103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC(=C(C=C3)OC)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC(=C(C=C3)OC)F)Cl

InChI

InChI=1S/C20H19ClFNO3/c1-12-6-19-15(9-16(12)21)14(8-20(24)26-19)11-23(2)10-13-4-5-18(25-3)17(22)7-13/h4-9H,10-11H2,1-3H3/p+1