5-[(2-chlorophenyl)amino]pentane-1-sulfonate; tetrabutylazanium

Systemtic Name: 5-[(2-chlorophenyl)amino]pentane-1-sulfonate; tetrabutylazanium Openeye Name: 5-(2-chloroanilino)pentane-1-sulfonate; tetrabutylammonium CAS Name: 5-(2-chloroanilino)-1-pentanesulfonate; tetrabutylammonium IUPAC Name: 5-(2-chloroanilino)pentane-1-sulfonate; tetrabutylazanium Traditional Name: 5-(2-chloroanilino)pentane-1-sulfonate; tetrabutylammonium Formula: C27H51ClN2O3S MolecularWeight: 519.22344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)NCCCCCS(=O)(=O)[O-])Cl

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)NCCCCCS(=O)(=O)[O-])Cl

InChI

InChI=1S/C16H36N.C11H16ClNO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;12-10-6-2-3-7-11(10)13-8-4-1-5-9-17(14,15)16/h5-16H2,1-4H3;2-3,6-7,13H,1,4-5,8-9H2,(H,14,15,16)/q+1;/p-1