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

Systemtic Name: 2-[1,1-bis[(4-methylphenyl)methyl]aziridin-1-ium-2-yl]ethanenitrile bromide Openeye Name: 2-[1,1-bis(p-tolylmethyl)aziridin-1-ium-2-yl]acetonitrile bromide CAS Name: 2-[1,1-bis[(4-methylphenyl)methyl]-2-aziridin-1-iumyl]acetonitrile bromide IUPAC Name: 2-[1,1-bis[(4-methylphenyl)methyl]aziridin-1-ium-2-yl]acetonitrile bromide Traditional Name: 2-[1,1-bis(4-methylbenzyl)ethylenimin-1-ium-2-yl]acetonitrile bromide Formula: C20H23BrN2 MolecularWeight: 371.31402

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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)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N2.BrH/c1-16-3-7-18(8-4-16)13-22(15-20(22)11-12-21)14-19-9-5-17(2)6-10-19;/h3-10,20H,11,13-15H2,1-2H3;1H/q+1;/p-1