dimethyl-phenethyl-tetradecyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-phenethyl-tetradecyl-azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-phenethyl-tetradecyl-ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-phenethyl-tetradecylammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-phenethyl-tetradecylazanium; 4-methylbenzenesulfonate Traditional Name: dimethyl-myristyl-phenethyl-ammonium tosylate Formula: C31H51NO3S MolecularWeight: 517.80654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)CCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C24H44N.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-18-22-25(2,3)23-21-24-19-16-15-17-20-24;1-6-2-4-7(5-3-6)11(8,9)10/h15-17,19-20H,4-14,18,21-23H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1