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

Systemtic Name: (5R)-9-chloranyl-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol Openeye Name: (5R)-9-chloro-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol CAS Name: (5R)-9-chloro-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol IUPAC Name: (5R)-9-chloro-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol Traditional Name: (5R)-9-chloro-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol Formula: C18H21ClNO2+ MolecularWeight: 319.810495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO2/c1-20(2)9-8-13-14(10-16(21)18(22)17(13)19)15(11-20)12-6-4-3-5-7-12/h3-7,10,15H,8-9,11H2,1-2H3,(H-,21,22)/p+1/t15-/m1/s1/i1+1/t15-,20?