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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C21H22ClFNO3+ MolecularWeight: 390.855683

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C21H21ClFNO3/c1-4-24(11-14-5-6-19(26-3)18(23)8-14)12-15-9-21(25)27-20-7-13(2)17(22)10-16(15)20/h5-10H,4,11-12H2,1-3H3/p+1