hexacosan-13-yl-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: hexacosan-13-yl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(1-dodecyltetradecyl)-dimethyl-ammonium chloride CAS Name: hexacosan-13-yl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-hexacosan-13-yl-dimethylazanium chloride Traditional Name: benzyl-(1-lauryltetradecyl)-dimethyl-ammonium chloride Formula: C35H66ClN MolecularWeight: 536.35824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C35H66N.ClH/c1-5-7-9-11-13-15-17-19-21-23-28-32-35(36(3,4)33-34-29-25-24-26-30-34)31-27-22-20-18-16-14-12-10-8-6-2;/h24-26,29-30,35H,5-23,27-28,31-33H2,1-4H3;1H/q+1;/p-1