ethyl-tris(6-methylheptyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-tris(6-methylheptyl)azanium; 4-methylbenzenesulfonate Openeye Name: ethyl-tris(6-methylheptyl)ammonium; 4-methylbenzenesulfonate CAS Name: ethyl-tris(6-methylheptyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: ethyl-tris(6-methylheptyl)azanium; 4-methylbenzenesulfonate Traditional Name: ethyl-tris(6-methylheptyl)ammonium tosylate Formula: C33H63NO3S MolecularWeight: 553.92322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H56N.C7H8O3S/c1-8-27(21-15-9-12-18-24(2)3,22-16-10-13-19-25(4)5)23-17-11-14-20-26(6)7;1-6-2-4-7(5-3-6)11(8,9)10/h24-26H,8-23H2,1-7H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1