1-(4-tert-butylphenoxy)-3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride

Systemtic Name: 1-(4-tert-butylphenoxy)-3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride Openeye Name: 1-(4-tert-butylphenoxy)-3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride CAS Name: 1-(4-tert-butylphenoxy)-3-[2-(1-cyclohex-3-enyl)-3H-benzimidazol-1-ium-1-yl]-2-propanol chloride IUPAC Name: 1-(4-tert-butylphenoxy)-3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride Traditional Name: 1-(4-tert-butylphenoxy)-3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride Formula: C26H33ClN2O2 MolecularWeight: 441.00542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(C[N+]2=C(NC3=CC=CC=C32)C4CCC=CC4)O.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(C[N+]2=C(NC3=CC=CC=C32)C4CCC=CC4)O.[Cl-]

InChI

InChI=1S/C26H32N2O2.ClH/c1-26(2,3)20-13-15-22(16-14-20)30-18-21(29)17-28-24-12-8-7-11-23(24)27-25(28)19-9-5-4-6-10-19;/h4-5,7-8,11-16,19,21,29H,6,9-10,17-18H2,1-3H3;1H