7-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H22F3N2O3+ MolecularWeight: 419.41689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O3/c1-29-18-5-6-19-15(11-21(28)30-20(19)13-18)14-26-7-9-27(10-8-26)17-4-2-3-16(12-17)22(23,24)25/h2-6,11-13H,7-10,14H2,1H3/p+1