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

Systemtic Name: 2-[1-[(4-bromophenyl)methyl]-1-(phenylmethyl)aziridin-1-ium-2-yl]ethanenitrile Openeye Name: 2-[1-benzyl-1-[(4-bromophenyl)methyl]aziridin-1-ium-2-yl]acetonitrile CAS Name: 2-[1-[(4-bromophenyl)methyl]-1-(phenylmethyl)-2-aziridin-1-iumyl]acetonitrile IUPAC Name: 2-[1-benzyl-1-[(4-bromophenyl)methyl]aziridin-1-ium-2-yl]acetonitrile Traditional Name: 2-[1-benzyl-1-(4-bromobenzyl)ethylenimin-1-ium-2-yl]acetonitrile Formula: C18H18BrN2+ MolecularWeight: 342.25292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C([N+]1(CC2=CC=CC=C2)CC3=CC=C(C=C3)Br)CC#N

Isomeric SMILES

C1C([N+]1(CC2=CC=CC=C2)CC3=CC=C(C=C3)Br)CC#N

InChI

InChI=1S/C18H18BrN2/c19-17-8-6-16(7-9-17)13-21(14-18(21)10-11-20)12-15-4-2-1-3-5-15/h1-9,18H,10,12-14H2/q+1