1-[4-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1H-1,2,3-triazol-1-ium-5-yl]-N,N-dimethyl-methanamine chloride

Systemtic Name: 1-[4-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1H-1,2,3-triazol-1-ium-5-yl]-N,N-dimethyl-methanamine chloride Openeye Name: 1-[4-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1H-triazol-1-ium-5-yl]-N,N-dimethyl-methanamine chloride CAS Name: 1-[4-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1H-triazol-1-ium-5-yl]-N,N-dimethylmethanamine chloride IUPAC Name: 1-[4-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1H-triazol-1-ium-5-yl]-N,N-dimethylmethanamine chloride Traditional Name: [4-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-triazol-1-ium-5-yl]methyl-dimethyl-amine chloride Formula: C26H29ClF7N5O2 MolecularWeight: 611.982582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=C([NH2+]N=N3)CN(C)C)C4=CC=C(C=C4)F.[Cl-]

Isomeric SMILES

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=C([NH2+]N=N3)CN(C)C)C4=CC=C(C=C4)F.[Cl-]

InChI

InChI=1S/C26H28F7N5O2.ClH/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22;/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36);1H/t15-,23+,24-;/m1./s1