(1R,2R)-N-diphenylphosphanyl-2-(5-phenyl-3-propan-2-yl-imidazol-3-ium-1-yl)cyclohexan-1-amine bromide

Systemtic Name: (1R,2R)-N-diphenylphosphanyl-2-(5-phenyl-3-propan-2-yl-imidazol-3-ium-1-yl)cyclohexan-1-amine bromide Openeye Name: (1R,2R)-N-diphenylphosphanyl-2-(3-isopropyl-5-phenyl-imidazol-3-ium-1-yl)cyclohexanamine bromide CAS Name: (1R,2R)-N-diphenylphosphino-2-(5-phenyl-3-propan-2-yl-1-imidazol-3-iumyl)-1-cyclohexanamine bromide IUPAC Name: (1R,2R)-N-diphenylphosphanyl-2-(5-phenyl-3-propan-2-ylimidazol-3-ium-1-yl)cyclohexan-1-amine bromide Traditional Name: diphenylphosphino-[(1R,2R)-2-(3-isopropyl-5-phenyl-imidazol-3-ium-1-yl)cyclohexyl]amine bromide Formula: C30H35BrN3P MolecularWeight: 548.496761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CN(C(=C1)C2=CC=CC=C2)C3CCCCC3NP(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC(C)[N+]1=CN(C(=C1)C2=CC=CC=C2)[C@@H]3CCCC[C@H]3NP(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H35N3P.BrH/c1-24(2)32-22-30(25-14-6-3-7-15-25)33(23-32)29-21-13-12-20-28(29)31-34(26-16-8-4-9-17-26)27-18-10-5-11-19-27;/h3-11,14-19,22-24,28-29,31H,12-13,20-21H2,1-2H3;1H/q+1;/p-1/t28-,29-;/m1./s1