2-(2,3-dioctadecylphenyl)propan-2-ylazanium hydroxide

Systemtic Name: 2-(2,3-dioctadecylphenyl)propan-2-ylazanium hydroxide Openeye Name: [1-(2,3-dioctadecylphenyl)-1-methyl-ethyl]ammonium hydroxide CAS Name: 2-(2,3-dioctadecylphenyl)propan-2-ylammonium hydroxide IUPAC Name: 2-(2,3-dioctadecylphenyl)propan-2-ylazanium hydroxide Traditional Name: [1-(2,3-distearylphenyl)-1-methyl-ethyl]ammonium hydroxide Formula: C45H87NO MolecularWeight: 658.17838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(C)[NH3+])CCCCCCCCCCCCCCCCCC.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(C)[NH3+])CCCCCCCCCCCCCCCCCC.[OH-]

InChI

InChI=1S/C45H85N.H2O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-42-39-37-41-44(45(3,4)46)43(42)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h37,39,41H,5-36,38,40,46H2,1-4H3;1H2