[3-(3,4-dimethylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate

Systemtic Name: [3-(3,4-dimethylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(3,4-dimethylphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(3,4-dimethylphenoxy)-4-oxo-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethylphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(3,4-dimethylphenoxy)-4-keto-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C32H31F3NO5+ MolecularWeight: 566.58745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C=C4)C)C)C[NH+]5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C=C4)C)C)C[NH+]5CCCCC5

InChI

InChI=1S/C32H30F3NO5/c1-19-7-10-22(11-8-19)31(38)40-26-14-13-24-27(37)29(39-23-12-9-20(2)21(3)17-23)30(32(33,34)35)41-28(24)25(26)18-36-15-5-4-6-16-36/h7-14,17H,4-6,15-16,18H2,1-3H3/p+1