3-[dodecanoyl(methyl)amino]propyl-dimethyl-(phenylmethyl)azanium hydrobromide

Systemtic Name: 3-[dodecanoyl(methyl)amino]propyl-dimethyl-(phenylmethyl)azanium hydrobromide Openeye Name: benzyl-[3-[dodecanoyl(methyl)amino]propyl]-dimethyl-ammonium hydrobromide CAS Name: dimethyl-[3-[methyl(1-oxododecyl)amino]propyl]-(phenylmethyl)ammonium hydrobromide IUPAC Name: benzyl-[3-[dodecanoyl(methyl)amino]propyl]-dimethylazanium hydrobromide Traditional Name: benzyl-[3-[lauroyl(methyl)amino]propyl]-dimethyl-ammonium hydrobromide Formula: C25H46BrN2O+ MolecularWeight: 470.54954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45N2O.BrH/c1-5-6-7-8-9-10-11-12-16-20-25(28)26(2)21-17-22-27(3,4)23-24-18-14-13-15-19-24;/h13-15,18-19H,5-12,16-17,20-23H2,1-4H3;1H/q+1;