1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-oxidanyl-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl)propan-1-one chloride

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-oxidanyl-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl)propan-1-one chloride Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-hydroxy-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl)propan-1-one chloride CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-hydroxy-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl)-1-propanone chloride IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-hydroxy-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl)propan-1-one chloride Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-hydroxy-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl)propan-1-one chloride Formula: C27H28ClNO4 MolecularWeight: 465.96852

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C2=CC=CC=C21)(C3=CC=CC=C3)O)CCC(=O)C4=CC5=C(C=C4)OCCO5.[Cl-]

Isomeric SMILES

C1C[NH+](CC(C2=CC=CC=C21)(C3=CC=CC=C3)O)CCC(=O)C4=CC5=C(C=C4)OCCO5.[Cl-]

InChI

InChI=1S/C27H27NO4.ClH/c29-24(21-10-11-25-26(18-21)32-17-16-31-25)13-15-28-14-12-20-6-4-5-9-23(20)27(30,19-28)22-7-2-1-3-8-22;/h1-11,18,30H,12-17,19H2;1H