(phenylmethyl) 2-azanyl-6-(chloromethyl)-1-oxidanylidene-2H-pyrazin-1-ium-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-6-(chloromethyl)-1-oxidanylidene-2H-pyrazin-1-ium-3-carboxylate Openeye Name: benzyl 2-amino-6-(chloromethyl)-1-oxo-2H-pyrazin-1-ium-3-carboxylate CAS Name: 2-amino-6-(chloromethyl)-1-oxo-2H-pyrazin-1-ium-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-6-(chloromethyl)-1-oxo-2H-pyrazin-1-ium-3-carboxylate Traditional Name: 2-amino-6-(chloromethyl)-1-keto-2H-pyrazin-1-ium-3-carboxylic acid benzyl ester Formula: C13H13ClN3O3+ MolecularWeight: 294.71362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC=C([N+](=O)C2N)CCl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC=C([N+](=O)C2N)CCl

InChI

InChI=1S/C13H13ClN3O3/c14-6-10-7-16-11(12(15)17(10)19)13(18)20-8-9-4-2-1-3-5-9/h1-5,7,12H,6,8,15H2/q+1