(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]ammonium Formula: C20H18ClF3NO2+ MolecularWeight: 396.81063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCC3=CC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCC3=CC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H17ClF3NO2/c1-12-8-18-16(10-17(12)21)14(9-19(26)27-18)11-25-7-6-13-2-4-15(5-3-13)20(22,23)24/h2-5,8-10,25H,6-7,11H2,1H3/p+1