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

Systemtic Name: [3-(3,4-dimethylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(3,4-dimethylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(3,4-dimethylphenoxy)-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(3,4-dimethylphenoxy)-4-keto-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-7-yl] ester Formula: C33H33F3NO5+ MolecularWeight: 580.61403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=C(C=C4)C)C)C(F)(F)F)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=C(C=C4)C)C)C(F)(F)F)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H32F3NO5/c1-19-5-8-23(9-6-19)32(39)41-27-12-11-25-28(38)30(40-24-10-7-21(3)22(4)17-24)31(33(34,35)36)42-29(25)26(27)18-37-15-13-20(2)14-16-37/h5-12,17,20H,13-16,18H2,1-4H3/p+1