methyl 3-(aziridin-1-ium-1-yl)propanoate benzoate

Systemtic Name: methyl 3-(aziridin-1-ium-1-yl)propanoate benzoate Openeye Name: methyl 3-(aziridin-1-ium-1-yl)propanoate benzoate CAS Name: 3-(1-aziridin-1-iumyl)propanoic acid methyl ester benzoate IUPAC Name: methyl 3-(aziridin-1-ium-1-yl)propanoate benzoate Traditional Name: 3-ethylenimin-1-ium-1-ylpropionic acid methyl ester benzoate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1CC1.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

COC(=O)CC[NH+]1CC1.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C7H6O2.C6H11NO2/c8-7(9)6-4-2-1-3-5-6;1-9-6(8)2-3-7-4-5-7/h1-5H,(H,8,9);2-5H2,1H3