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

Systemtic Name: [(2R,3S)-1-methyl-3-(3-nitrophenyl)aziridin-1-ium-2-yl]-phenyl-methanone Openeye Name: [(2R,3S)-1-methyl-3-(3-nitrophenyl)aziridin-1-ium-2-yl]-phenyl-methanone CAS Name: [(2R,3S)-1-methyl-3-(3-nitrophenyl)-2-aziridin-1-iumyl]-phenylmethanone IUPAC Name: [(2R,3S)-1-methyl-3-(3-nitrophenyl)aziridin-1-ium-2-yl]-phenylmethanone Traditional Name: [(2R,3S)-1-methyl-3-(3-nitrophenyl)ethylenimin-1-ium-2-yl]-phenyl-methanone Formula: C16H15N2O3+ MolecularWeight: 283.3019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3/c1-17-14(12-8-5-9-13(10-12)18(20)21)15(17)16(19)11-6-3-2-4-7-11/h2-10,14-15H,1H3/p+1/t14-,15+,17?/m0/s1