[1,5-bis(chloranyl)-3-methyl-pentan-3-yl]-(phenylmethyl)azanium bromide

Systemtic Name: [1,5-bis(chloranyl)-3-methyl-pentan-3-yl]-(phenylmethyl)azanium bromide Openeye Name: benzyl-[3-chloro-1-(2-chloroethyl)-1-methyl-propyl]ammonium bromide CAS Name: (1,5-dichloro-3-methylpentan-3-yl)-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-(1,5-dichloro-3-methylpentan-3-yl)azanium bromide Traditional Name: benzyl-[3-chloro-1-(2-chloroethyl)-1-methyl-propyl]ammonium bromide Formula: C13H20BrCl2N MolecularWeight: 341.1146

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCl)(CCCl)[NH2+]CC1=CC=CC=C1.[Br-]

Isomeric SMILES

CC(CCCl)(CCCl)[NH2+]CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C13H19Cl2N.BrH/c1-13(7-9-14,8-10-15)16-11-12-5-3-2-4-6-12;/h2-6,16H,7-11H2,1H3;1H