2-[1-[(4-bromophenyl)methyl]-1-[(4-methylphenyl)methyl]aziridin-1-ium-2-yl]ethanenitrile bromide

Systemtic Name: 2-[1-[(4-bromophenyl)methyl]-1-[(4-methylphenyl)methyl]aziridin-1-ium-2-yl]ethanenitrile bromide Openeye Name: 2-[1-[(4-bromophenyl)methyl]-1-(p-tolylmethyl)aziridin-1-ium-2-yl]acetonitrile bromide CAS Name: 2-[1-[(4-bromophenyl)methyl]-1-[(4-methylphenyl)methyl]-2-aziridin-1-iumyl]acetonitrile bromide IUPAC Name: 2-[1-[(4-bromophenyl)methyl]-1-[(4-methylphenyl)methyl]aziridin-1-ium-2-yl]acetonitrile bromide Traditional Name: 2-[1-(4-bromobenzyl)-1-(4-methylbenzyl)ethylenimin-1-ium-2-yl]acetonitrile bromide Formula: C19H20Br2N2 MolecularWeight: 436.1835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CC2CC#N)CC3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CC2CC#N)CC3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C19H20BrN2.BrH/c1-15-2-4-16(5-3-15)12-22(14-19(22)10-11-21)13-17-6-8-18(20)9-7-17;/h2-9,19H,10,12-14H2,1H3;1H/q+1;/p-1