1-(4-fluorophenyl)-4-[(5R)-5-oxidanyl-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[(5R)-5-oxidanyl-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[(5R)-5-hydroxy-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[(5R)-5-hydroxy-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[(5R)-5-hydroxy-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[(5R)-5-hydroxy-5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-3-ium-3-yl]butan-1-one Formula: C26H27FNO2+ MolecularWeight: 404.496483

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C2=CC=CC=C21)(C3=CC=CC=C3)O)CCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](C[C@](C2=CC=CC=C21)(C3=CC=CC=C3)O)CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FNO2/c27-23-14-12-21(13-15-23)25(29)11-6-17-28-18-16-20-7-4-5-10-24(20)26(30,19-28)22-8-2-1-3-9-22/h1-5,7-10,12-15,30H,6,11,16-19H2/p+1/t26-/m1/s1