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

Systemtic Name: 2-[1-[(4-methylphenyl)methyl]-1-(phenylmethyl)aziridin-1-ium-2-yl]ethanenitrile bromide Openeye Name: 2-[1-benzyl-1-(p-tolylmethyl)aziridin-1-ium-2-yl]acetonitrile bromide CAS Name: 2-[1-[(4-methylphenyl)methyl]-1-(phenylmethyl)-2-aziridin-1-iumyl]acetonitrile bromide IUPAC Name: 2-[1-benzyl-1-[(4-methylphenyl)methyl]aziridin-1-ium-2-yl]acetonitrile bromide Traditional Name: 2-[1-benzyl-1-(4-methylbenzyl)ethylenimin-1-ium-2-yl]acetonitrile bromide Formula: C19H21BrN2 MolecularWeight: 357.28744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N2.BrH/c1-16-7-9-18(10-8-16)14-21(15-19(21)11-12-20)13-17-5-3-2-4-6-17;/h2-10,19H,11,13-15H2,1H3;1H/q+1;/p-1