decyl 2-[3-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: decyl 2-[3-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: decyl 2-[3-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[3-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1-benzimidazol-3-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]benzimidazol-3-ium-1-yl]acetic acid decyl ester Formula: C28H36F3N2O3+ MolecularWeight: 505.59225

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1COC3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C28H36F3N2O3/c1-3-4-5-6-7-8-9-12-18-35-27(34)20-33-25-17-11-10-16-24(25)32(2)26(33)21-36-23-15-13-14-22(19-23)28(29,30)31/h10-11,13-17,19H,3-9,12,18,20-21H2,1-2H3/q+1