[(1R,2R)-6-chloranyl-5-oxidanyl-1-phenyl-2,3-dihydro-1H-inden-2-yl]-dipropyl-azanium bromide

Systemtic Name: [(1R,2R)-6-chloranyl-5-oxidanyl-1-phenyl-2,3-dihydro-1H-inden-2-yl]-dipropyl-azanium bromide Openeye Name: [(1R,2R)-6-chloro-5-hydroxy-1-phenyl-indan-2-yl]-dipropyl-ammonium bromide CAS Name: [(1R,2R)-6-chloro-5-hydroxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-dipropylammonium bromide IUPAC Name: [(1R,2R)-6-chloro-5-hydroxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-dipropylazanium bromide Traditional Name: [(1R,2R)-6-chloro-5-hydroxy-1-phenyl-indan-2-yl]-dipropyl-ammonium bromide Formula: C21H27BrClNO MolecularWeight: 424.80218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C1CC2=CC(=C(C=C2C1C3=CC=CC=C3)Cl)O.[Br-]

Isomeric SMILES

CCC[NH+](CCC)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)Cl)O.[Br-]

InChI

InChI=1S/C21H26ClNO.BrH/c1-3-10-23(11-4-2)19-12-16-13-20(24)18(22)14-17(16)21(19)15-8-6-5-7-9-15;/h5-9,13-14,19,21,24H,3-4,10-12H2,1-2H3;1H/t19-,21-;/m1./s1