butyl(trihexyl)azanium; 4-methylbenzenesulfonic acid

Systemtic Name: butyl(trihexyl)azanium; 4-methylbenzenesulfonic acid Openeye Name: butyl(trihexyl)ammonium; 4-methylbenzenesulfonic acid CAS Name: butyl(trihexyl)ammonium; 4-methylbenzenesulfonic acid IUPAC Name: butyl(trihexyl)azanium; 4-methylbenzenesulfonic acid Traditional Name: butyl(trihexyl)ammonium; tosylic acid Formula: C29H56NO3S+ MolecularWeight: 498.82484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H48N.C7H8O3S/c1-5-9-13-16-20-23(19-12-8-4,21-17-14-10-6-2)22-18-15-11-7-3;1-6-2-4-7(5-3-6)11(8,9)10/h5-22H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;