3-[1-(phenylmethyl)aziridin-1-ium-1-yl]propan-1-olate

Systemtic Name: 3-[1-(phenylmethyl)aziridin-1-ium-1-yl]propan-1-olate Openeye Name: 3-(1-benzylaziridin-1-ium-1-yl)propan-1-olate CAS Name: 3-[1-(phenylmethyl)-1-aziridin-1-iumyl]-1-propanolate IUPAC Name: 3-(1-benzylaziridin-1-ium-1-yl)propan-1-olate Traditional Name: 3-(1-benzylethylenimin-1-ium-1-yl)propan-1-olate Formula: C12H17NO MolecularWeight: 191.26948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]1(CCC[O-])CC2=CC=CC=C2

Isomeric SMILES

C1C[N+]1(CCC[O-])CC2=CC=CC=C2

InChI

InChI=1S/C12H17NO/c14-10-4-7-13(8-9-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2