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

Systemtic Name: N-[(1R,2R)-2-(5-phenyl-3-propan-2-yl-imidazol-3-ium-1-yl)cyclohexyl]propan-2-imine Openeye Name: N-[(1R,2R)-2-(3-isopropyl-5-phenyl-imidazol-3-ium-1-yl)cyclohexyl]propan-2-imine CAS Name: N-[(1R,2R)-2-(5-phenyl-3-propan-2-yl-1-imidazol-3-iumyl)cyclohexyl]-2-propanimine IUPAC Name: N-[(1R,2R)-2-(5-phenyl-3-propan-2-ylimidazol-3-ium-1-yl)cyclohexyl]propan-2-imine Traditional Name: isopropylidene-[(1R,2R)-2-(3-isopropyl-5-phenyl-imidazol-3-ium-1-yl)cyclohexyl]amine Formula: C21H30N3+ MolecularWeight: 324.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N3/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/q+1/t19-,20-/m1/s1