4-[1-(phenylmethyl)aziridin-1-ium-1-yl]butan-1-olate

Systemtic Name: 4-[1-(phenylmethyl)aziridin-1-ium-1-yl]butan-1-olate Openeye Name: 4-(1-benzylaziridin-1-ium-1-yl)butan-1-olate CAS Name: 4-[1-(phenylmethyl)-1-aziridin-1-iumyl]-1-butanolate IUPAC Name: 4-(1-benzylaziridin-1-ium-1-yl)butan-1-olate Traditional Name: 4-(1-benzylethylenimin-1-ium-1-yl)butan-1-olate Formula: C13H19NO MolecularWeight: 205.29606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO/c15-11-5-4-8-14(9-10-14)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2