dimethyl-[3-(16-methylheptadecanoylamino)propyl]-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-[3-(16-methylheptadecanoylamino)propyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]ammonium chloride CAS Name: dimethyl-[3-[(16-methyl-1-oxoheptadecyl)amino]propyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]azanium chloride Traditional Name: benzyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]ammonium chloride Formula: C30H55ClN2O MolecularWeight: 495.2235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C30H54N2O.ClH/c1-28(2)21-16-13-11-9-7-5-6-8-10-12-14-19-24-30(33)31-25-20-26-32(3,4)27-29-22-17-15-18-23-29;/h15,17-18,22-23,28H,5-14,16,19-21,24-27H2,1-4H3;1H