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

Systemtic Name: 2-[1-[(4-bromophenyl)methyl]-1-(phenylmethyl)aziridin-1-ium-2-yl]ethanenitrile bromide Openeye Name: 2-[1-benzyl-1-[(4-bromophenyl)methyl]aziridin-1-ium-2-yl]acetonitrile bromide CAS Name: 2-[1-[(4-bromophenyl)methyl]-1-(phenylmethyl)-2-aziridin-1-iumyl]acetonitrile bromide IUPAC Name: 2-[1-benzyl-1-[(4-bromophenyl)methyl]aziridin-1-ium-2-yl]acetonitrile bromide Traditional Name: 2-[1-benzyl-1-(4-bromobenzyl)ethylenimin-1-ium-2-yl]acetonitrile bromide Formula: C18H18Br2N2 MolecularWeight: 422.15692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN2.BrH/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;1H/q+1;/p-1