dodecane-1-sulfonic acid; dodecyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: dodecane-1-sulfonic acid; dodecyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-dodecyl-dimethyl-ammonium; dodecane-1-sulfonic acid CAS Name: 1-dodecanesulfonic acid; dodecyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-dodecyl-dimethylazanium; dodecane-1-sulfonic acid Traditional Name: benzyl-lauryl-dimethyl-ammonium; dodecane-1-sulfonic acid Formula: C33H64NO3S+ MolecularWeight: 554.93116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C21H38N.C12H26O3S/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h13-15,17-18H,4-12,16,19-20H2,1-3H3;2-12H2,1H3,(H,13,14,15)/q+1;