4-chloranylbenzenesulfonate; trimethyl(octadecyl)azanium

Systemtic Name: 4-chloranylbenzenesulfonate; trimethyl(octadecyl)azanium Openeye Name: 4-chlorobenzenesulfonate; trimethyl(octadecyl)ammonium CAS Name: 4-chlorobenzenesulfonate; trimethyl(octadecyl)ammonium IUPAC Name: 4-chlorobenzenesulfonate; trimethyl(octadecyl)azanium Traditional Name: 4-chlorobesylate; trimethyl(stearyl)ammonium Formula: C27H50ClNO3S MolecularWeight: 504.2088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C21H46N.C6H5ClO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;7-5-1-3-6(4-2-5)11(8,9)10/h5-21H2,1-4H3;1-4H,(H,8,9,10)/q+1;/p-1