1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium chloride

Systemtic Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium chloride Openeye Name: 1,3-bis(2,6-diisopropylphenyl)imidazol-1-ium chloride CAS Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium chloride IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium chloride Traditional Name: 1,3-bis(2,6-diisopropylphenyl)imidazol-1-ium chloride Formula: C27H37ClN2 MolecularWeight: 425.04908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]

InChI

InChI=1S/C27H37N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-21H,1-8H3;1H/q+1;/p-1