3-(2-ethylphenyl)pentan-3-ylazanium; methyl sulfate

Systemtic Name: 3-(2-ethylphenyl)pentan-3-ylazanium; methyl sulfate Openeye Name: [1-ethyl-1-(2-ethylphenyl)propyl]ammonium; methyl sulfate CAS Name: 3-(2-ethylphenyl)pentan-3-ylammonium; methyl sulfate IUPAC Name: 3-(2-ethylphenyl)pentan-3-ylazanium; methyl sulfate Traditional Name: [1-ethyl-1-(2-ethylphenyl)propyl]ammonium; methyl sulfate Formula: C14H25NO4S MolecularWeight: 303.4176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(CC)(CC)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1C(CC)(CC)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C13H21N.CH4O4S/c1-4-11-9-7-8-10-12(11)13(14,5-2)6-3;1-5-6(2,3)4/h7-10H,4-6,14H2,1-3H3;1H3,(H,2,3,4)