methyl (2S)-1-(pyridin-3-ylmethyl)aziridin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-(pyridin-3-ylmethyl)aziridin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-(3-pyridylmethyl)aziridin-1-ium-2-carboxylate CAS Name: (2S)-1-(3-pyridinylmethyl)-2-aziridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(pyridin-3-ylmethyl)aziridin-1-ium-2-carboxylate Traditional Name: (2S)-1-(3-pyridylmethyl)ethylenimin-1-ium-2-carboxylic acid methyl ester Formula: C10H13N2O2+ MolecularWeight: 193.22242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+]1CC2=CN=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1C[NH+]1CC2=CN=CC=C2

InChI

InChI=1S/C10H12N2O2/c1-14-10(13)9-7-12(9)6-8-3-2-4-11-5-8/h2-5,9H,6-7H2,1H3/p+1/t9-,12?/m0/s1