1,3-bis(3-tert-butylimidazol-1-ium-1-yl)-2-phenyl-propan-2-olate chloride

Systemtic Name: 1,3-bis(3-tert-butylimidazol-1-ium-1-yl)-2-phenyl-propan-2-olate chloride Openeye Name: 1,3-bis(3-tert-butylimidazol-1-ium-1-yl)-2-phenyl-propan-2-olate chloride CAS Name: 1,3-bis(3-tert-butyl-1-imidazol-1-iumyl)-2-phenyl-2-propanolate chloride IUPAC Name: 1,3-bis(3-tert-butylimidazol-1-ium-1-yl)-2-phenylpropan-2-olate chloride Traditional Name: 1,3-bis(3-tert-butylimidazol-1-ium-1-yl)-2-phenyl-propan-2-olate chloride Formula: C23H33ClN4O MolecularWeight: 416.98732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C[N+](=C1)CC(C[N+]2=CN(C=C2)C(C)(C)C)(C3=CC=CC=C3)[O-].[Cl-]

Isomeric SMILES

CC(C)(C)N1C=C[N+](=C1)CC(C[N+]2=CN(C=C2)C(C)(C)C)(C3=CC=CC=C3)[O-].[Cl-]

InChI

InChI=1S/C23H33N4O.ClH/c1-21(2,3)26-14-12-24(18-26)16-23(28,20-10-8-7-9-11-20)17-25-13-15-27(19-25)22(4,5)6;/h7-15,18-19H,16-17H2,1-6H3;1H/q+1;/p-1