5-(2-butylphenyl)nonan-5-ylazanium; 4-oxidanylnaphthalene-1-sulfonate; tetrabutylazanium; tetrafluoroborate

Systemtic Name: 5-(2-butylphenyl)nonan-5-ylazanium; 4-oxidanylnaphthalene-1-sulfonate; tetrabutylazanium; tetrafluoroborate Openeye Name: [1-butyl-1-(2-butylphenyl)pentyl]ammonium; 4-hydroxynaphthalene-1-sulfonate; tetrabutylammonium; tetrafluoroborate CAS Name: 5-(2-butylphenyl)nonan-5-ylammonium; 4-hydroxy-1-naphthalenesulfonate; tetrabutylammonium; tetrafluoroborate IUPAC Name: 5-(2-butylphenyl)nonan-5-ylazanium; 4-hydroxynaphthalene-1-sulfonate; tetrabutylazanium; tetrafluoroborate Traditional Name: [1-butyl-1-(2-butylphenyl)pentyl]ammonium; 4-hydroxynaphthalene-1-sulfonate; tetrabutylammonium; tetrafluoroborate Formula: C45H77BF4N2O4S MolecularWeight: 828.973493

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCC1=CC=CC=C1C(CCCC)(CCCC)[NH3+].CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O

Isomeric SMILES

[B-](F)(F)(F)F.CCCCC1=CC=CC=C1C(CCCC)(CCCC)[NH3+].CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O

InChI

InChI=1S/C19H33N.C16H36N.C10H8O4S.BF4/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;2-1(3,4)5/h10-11,13-14H,4-9,12,15-16,20H2,1-3H3;5-16H2,1-4H3;1-6,11H,(H,12,13,14);/q;+1;;-1