2-(2-dodecylphenyl)propan-2-ylazanium; methyl sulfate

Systemtic Name: 2-(2-dodecylphenyl)propan-2-ylazanium; methyl sulfate Openeye Name: [1-(2-dodecylphenyl)-1-methyl-ethyl]ammonium; methyl sulfate CAS Name: 2-(2-dodecylphenyl)propan-2-ylammonium; methyl sulfate IUPAC Name: 2-(2-dodecylphenyl)propan-2-ylazanium; methyl sulfate Traditional Name: [1-(2-laurylphenyl)-1-methyl-ethyl]ammonium; methyl sulfate Formula: C22H41NO4S MolecularWeight: 415.63024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C21H37N.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2,3)22;1-5-6(2,3)4/h14-15,17-18H,4-13,16,22H2,1-3H3;1H3,(H,2,3,4)