[2,4-bis(chloranyl)-3-methyl-pentan-3-yl]-(phenylmethyl)azanium bromide

Systemtic Name: [2,4-bis(chloranyl)-3-methyl-pentan-3-yl]-(phenylmethyl)azanium bromide Openeye Name: benzyl-[2-chloro-1-(1-chloroethyl)-1-methyl-propyl]ammonium bromide CAS Name: (2,4-dichloro-3-methylpentan-3-yl)-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-(2,4-dichloro-3-methylpentan-3-yl)azanium bromide Traditional Name: benzyl-[2-chloro-1-(1-chloroethyl)-1-methyl-propyl]ammonium bromide Formula: C13H20BrCl2N MolecularWeight: 341.1146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19Cl2N.BrH/c1-10(14)13(3,11(2)15)16-9-12-7-5-4-6-8-12;/h4-8,10-11,16H,9H2,1-3H3;1H