dimethyl-(1-octoxy-1-oxidanylidene-dodecan-2-yl)-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-(1-octoxy-1-oxidanylidene-dodecan-2-yl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-dimethyl-(1-octoxycarbonylundecyl)ammonium chloride CAS Name: dimethyl-(1-octoxy-1-oxododecan-2-yl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dimethyl-(1-octoxy-1-oxododecan-2-yl)azanium chloride Traditional Name: benzyl-dimethyl-(1-octoxycarbonylundecyl)ammonium chloride Formula: C29H52ClNO2 MolecularWeight: 482.18168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OCCCCCCCC)[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCC(C(=O)OCCCCCCCC)[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C29H52NO2.ClH/c1-5-7-9-11-13-14-15-20-24-28(29(31)32-25-21-16-12-10-8-6-2)30(3,4)26-27-22-18-17-19-23-27;/h17-19,22-23,28H,5-16,20-21,24-26H2,1-4H3;1H/q+1;/p-1