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

Systemtic Name: (5R)-9-chloranyl-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol Openeye Name: (5R)-9-chloro-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol CAS Name: (5R)-9-chloro-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol IUPAC Name: (5R)-9-chloro-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol Traditional Name: (5R)-9-chloro-7-methoxy-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-8-ol Formula: C19H23ClNO2+ MolecularWeight: 335.822385

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO2/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/h4-8,11,16H,9-10,12H2,1-3H3/p+1/t16-/m1/s1/i1+1,2+1,3+1