3-[3-dodecyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: 3-[3-dodecyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[3-(3-dodecyl-2,5-dioxo-pyrrolidin-1-yl)propyl]-dimethyl-ammonium chloride CAS Name: 3-(3-dodecyl-2,5-dioxo-1-pyrrolidinyl)propyl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[3-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)propyl]-dimethylazanium chloride Traditional Name: benzyl-[3-(2,5-diketo-3-lauryl-pyrrolidino)propyl]-dimethyl-ammonium chloride Formula: C28H47ClN2O2 MolecularWeight: 479.13798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1CC(=O)N(C1=O)CCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1CC(=O)N(C1=O)CCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C28H47N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-16-20-26-23-27(31)29(28(26)32)21-17-22-30(2,3)24-25-18-14-13-15-19-25;/h13-15,18-19,26H,4-12,16-17,20-24H2,1-3H3;1H/q+1;/p-1