N-[(1R,2R)-2-(5-phenyl-3-propan-2-yl-imidazol-3-ium-1-yl)cyclohexyl]propan-2-imine bromide

Systemtic Name: N-[(1R,2R)-2-(5-phenyl-3-propan-2-yl-imidazol-3-ium-1-yl)cyclohexyl]propan-2-imine bromide Openeye Name: N-[(1R,2R)-2-(3-isopropyl-5-phenyl-imidazol-3-ium-1-yl)cyclohexyl]propan-2-imine bromide CAS Name: N-[(1R,2R)-2-(5-phenyl-3-propan-2-yl-1-imidazol-3-iumyl)cyclohexyl]-2-propanimine bromide IUPAC Name: N-[(1R,2R)-2-(5-phenyl-3-propan-2-ylimidazol-3-ium-1-yl)cyclohexyl]propan-2-imine bromide Traditional Name: isopropylidene-[(1R,2R)-2-(3-isopropyl-5-phenyl-imidazol-3-ium-1-yl)cyclohexyl]amine bromide Formula: C21H30BrN3 MolecularWeight: 404.387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CN(C(=C1)C2=CC=CC=C2)C3CCCCC3N=C(C)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H30N3.BrH/c1-16(2)22-19-12-8-9-13-20(19)24-15-23(17(3)4)14-21(24)18-10-6-5-7-11-18;/h5-7,10-11,14-15,17,19-20H,8-9,12-13H2,1-4H3;1H/q+1;/p-1/t19-,20-;/m1./s1