3-phenylazanylpropane-1-sulfonate; tetrabutylazanium

Systemtic Name: 3-phenylazanylpropane-1-sulfonate; tetrabutylazanium Openeye Name: 3-anilinopropane-1-sulfonate; tetrabutylammonium CAS Name: 3-anilino-1-propanesulfonate; tetrabutylammonium IUPAC Name: 3-anilinopropane-1-sulfonate; tetrabutylazanium Traditional Name: 3-anilinopropane-1-sulfonate; tetrabutylammonium Formula: C25H48N2O3S MolecularWeight: 456.72522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C9H13NO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h5-16H2,1-4H3;1-3,5-6,10H,4,7-8H2,(H,11,12,13)/q+1;/p-1