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

Systemtic Name: 3-[heptadecanoyl(methyl)amino]propyl-dimethyl-(phenylmethyl)azanium hydrobromide Openeye Name: benzyl-[3-[heptadecanoyl(methyl)amino]propyl]-dimethyl-ammonium hydrobromide CAS Name: dimethyl-[3-[methyl(1-oxoheptadecyl)amino]propyl]-(phenylmethyl)ammonium hydrobromide IUPAC Name: benzyl-[3-[heptadecanoyl(methyl)amino]propyl]-dimethylazanium hydrobromide Traditional Name: benzyl-[3-[heptadecanoyl(methyl)amino]propyl]-dimethyl-ammonium hydrobromide Formula: C30H56BrN2O+ MolecularWeight: 540.68244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H55N2O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(33)31(2)26-22-27-32(3,4)28-29-23-19-18-20-24-29;/h18-20,23-24H,5-17,21-22,25-28H2,1-4H3;1H/q+1;