butyl-bis(2-ethylhexyl)-methyl-azanium; methyl sulfate

Systemtic Name: butyl-bis(2-ethylhexyl)-methyl-azanium; methyl sulfate Openeye Name: butyl-bis(2-ethylhexyl)-methyl-ammonium; methyl sulfate CAS Name: butyl-bis(2-ethylhexyl)-methylammonium; methyl sulfate IUPAC Name: butyl-bis(2-ethylhexyl)-methylazanium; methyl sulfate Traditional Name: butyl-bis(2-ethylhexyl)-methyl-ammonium; methyl sulfate Formula: C22H49NO4S MolecularWeight: 423.69376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[N+](C)(CCCC)CC(CC)CCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)C[N+](C)(CCCC)CC(CC)CCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H46N.CH4O4S/c1-7-12-15-20(10-4)18-22(6,17-14-9-3)19-21(11-5)16-13-8-2;1-5-6(2,3)4/h20-21H,7-19H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1