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

Systemtic Name: 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]propyl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-(2,5-dioxopyrrol-1-yl)propyl]-dimethyl-ammonium chloride CAS Name: 2-(2,5-dioxo-1-pyrrolyl)propyl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-(2,5-dioxopyrrol-1-yl)propyl]-dimethylazanium chloride Traditional Name: benzyl-(2-maleimidopropyl)-dimethyl-ammonium chloride Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)CC1=CC=CC=C1)N2C(=O)C=CC2=O.[Cl-]

Isomeric SMILES

CC(C[N+](C)(C)CC1=CC=CC=C1)N2C(=O)C=CC2=O.[Cl-]

InChI

InChI=1S/C16H21N2O2.ClH/c1-13(17-15(19)9-10-16(17)20)11-18(2,3)12-14-7-5-4-6-8-14;/h4-10,13H,11-12H2,1-3H3;1H/q+1;/p-1