[2-(hexadecylamino)phenyl]-trimethyl-azanium; methyl sulfate

Systemtic Name: [2-(hexadecylamino)phenyl]-trimethyl-azanium; methyl sulfate Openeye Name: [2-(hexadecylamino)phenyl]-trimethyl-ammonium; methyl sulfate CAS Name: [2-(hexadecylamino)phenyl]-trimethylammonium; methyl sulfate IUPAC Name: [2-(hexadecylamino)phenyl]-trimethylazanium; methyl sulfate Traditional Name: [2-(cetylamino)phenyl]-trimethyl-ammonium; methyl sulfate Formula: C26H50N2O4S MolecularWeight: 486.7512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=CC=C1[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=CC=C1[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H47N2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-24-21-18-19-22-25(24)27(2,3)4;1-5-6(2,3)4/h18-19,21-22,26H,5-17,20,23H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1