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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-4-propyl-chromen-6-yl)methyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[(7-hydroxy-8-methyl-2-oxo-4-propyl-chromen-6-yl)methyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[(7-hydroxy-8-methyl-2-oxo-4-propyl-1-benzopyran-6-yl)methyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[(7-hydroxy-8-methyl-2-oxo-4-propylchromen-6-yl)methyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[(7-hydroxy-2-keto-8-methyl-4-propyl-chromen-6-yl)methyl]ammonium Formula: C21H22ClFNO3+ MolecularWeight: 390.855683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH2+]CC3=C(C=CC=C3Cl)F)O)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH2+]CC3=C(C=CC=C3Cl)F)O)C

InChI

InChI=1S/C21H21ClFNO3/c1-3-5-13-9-19(25)27-21-12(2)20(26)14(8-15(13)21)10-24-11-16-17(22)6-4-7-18(16)23/h4,6-9,24,26H,3,5,10-11H2,1-2H3/p+1