(5R)-9-chloranyl-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (5R)-9-chloranyl-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (5R)-9-chloro-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol; 2,2,2-trifluoroacetate CAS Name: (5R)-9-chloro-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol; 2,2,2-trifluoroacetate IUPAC Name: (5R)-9-chloro-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol; 2,2,2-trifluoroacetate Traditional Name: (5R)-9-chloro-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol; 2,2,2-trifluoroacetate Formula: C21H23ClF3NO4 MolecularWeight: 447.845139

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)OC)O)Cl)C.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+]1(CCC2=C(C(=C(C=C2[C@H](C1)C3=CC=CC=C3)O[13CH3])O)Cl)[13CH3].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C19H22ClNO2.C2HF3O2/c1-21(2)10-9-14-15(11-17(23-3)19(22)18(14)20)16(12-21)13-7-5-4-6-8-13;3-2(4,5)1(6)7/h4-8,11,16H,9-10,12H2,1-3H3;(H,6,7)/t16-;/m1./s1/i1+1,3+1;/t16-,21?;