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

Systemtic Name: 1-(4-fluorophenyl)-4-[(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butan-1-one Formula: C26H27FNO+ MolecularWeight: 388.497083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FNO/c27-23-14-12-22(13-15-23)26(29)11-6-17-28-18-16-21-9-4-5-10-24(21)25(19-28)20-7-2-1-3-8-20/h1-5,7-10,12-15,25H,6,11,16-19H2/p+1/t25-/m1/s1