(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-cyclopropyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]ammonium Formula: C21H20ClFNO3+ MolecularWeight: 388.839803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](CC3=C(C=CC=C3Cl)F)C4CC4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](CC3=C(C=CC=C3Cl)F)C4CC4)O

InChI

InChI=1S/C21H19ClFNO3/c1-12-19(25)8-7-15-13(9-20(26)27-21(12)15)10-24(14-5-6-14)11-16-17(22)3-2-4-18(16)23/h2-4,7-9,14,25H,5-6,10-11H2,1H3/p+1