3-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)-3-phenyl-propan-1-ol chloride

Systemtic Name: 3-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)-3-phenyl-propan-1-ol chloride Openeye Name: 3-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)-3-phenyl-propan-1-ol chloride CAS Name: 3-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)-3-phenyl-1-propanol chloride IUPAC Name: 3-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)-3-phenylpropan-1-ol chloride Traditional Name: 3-phenyl-3-(1-stearyl-2-imidazolin-1-ium-2-yl)propan-1-ol chloride Formula: C30H53ClN2O MolecularWeight: 493.20762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(NCC1)C(CCO)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(NCC1)C(CCO)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C30H52N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-32-26-24-31-30(32)29(23-27-33)28-21-18-17-19-22-28;/h17-19,21-22,29,33H,2-16,20,23-27H2,1H3;1H