2-(3-fluorophenyl)ethyl-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]azanium

Systemtic Name: 2-(3-fluorophenyl)ethyl-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]azanium Openeye Name: 2-(3-fluorophenyl)ethyl-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]ammonium CAS Name: 2-(3-fluorophenyl)ethyl-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-6-yl)methyl]ammonium IUPAC Name: 2-(3-fluorophenyl)ethyl-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]azanium Traditional Name: 2-(3-fluorophenyl)ethyl-[(7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]ammonium Formula: C21H21FNO3+ MolecularWeight: 354.394743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3C[NH2+]CCC4=CC(=CC=C4)F)O

Isomeric SMILES

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3C[NH2+]CCC4=CC(=CC=C4)F)O

InChI

InChI=1S/C21H20FNO3/c22-14-4-1-3-13(11-14)9-10-23-12-18-19(24)8-7-16-15-5-2-6-17(15)21(25)26-20(16)18/h1,3-4,7-8,11,23-24H,2,5-6,9-10,12H2/p+1