(8-acetyloxy-9-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ethanoate chloride

Systemtic Name: (8-acetyloxy-9-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ethanoate chloride Openeye Name: (8-acetoxy-9-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate chloride CAS Name: acetic acid (8-acetyloxy-9-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester chloride IUPAC Name: (8-acetyloxy-9-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate chloride Traditional Name: acetic acid (8-acetoxy-9-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester chloride Formula: C21H22Cl2NO4- MolecularWeight: 423.30968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)C)Cl)OC(=O)C.[Cl-]

Isomeric SMILES

CC(=O)OC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)C)Cl)OC(=O)C.[Cl-]

InChI

InChI=1S/C21H22ClNO4.ClH/c1-13(24)26-19-11-17-16(20(22)21(19)27-14(2)25)9-10-23(3)12-18(17)15-7-5-4-6-8-15;/h4-8,11,18H,9-10,12H2,1-3H3;1H/p-1