[(2S,3S)-3-(4-bromophenyl)-1-methyl-aziridin-1-ium-2-yl]-phenyl-methanone

Systemtic Name: [(2S,3S)-3-(4-bromophenyl)-1-methyl-aziridin-1-ium-2-yl]-phenyl-methanone Openeye Name: [(2S,3S)-3-(4-bromophenyl)-1-methyl-aziridin-1-ium-2-yl]-phenyl-methanone CAS Name: [(2S,3S)-3-(4-bromophenyl)-1-methyl-2-aziridin-1-iumyl]-phenylmethanone IUPAC Name: [(2S,3S)-3-(4-bromophenyl)-1-methylaziridin-1-ium-2-yl]-phenylmethanone Traditional Name: [(2S,3S)-3-(4-bromophenyl)-1-methyl-ethylenimin-1-ium-2-yl]-phenyl-methanone Formula: C16H15BrNO+ MolecularWeight: 317.2004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(C1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C[NH+]1[C@H]([C@H]1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrNO/c1-18-14(11-7-9-13(17)10-8-11)15(18)16(19)12-5-3-2-4-6-12/h2-10,14-15H,1H3/p+1/t14-,15-,18?/m0/s1