2-(4-nitrophenyl)ethyl 4-methyl-2H-pyrazin-4-ium-1-carboxylate chloride

Systemtic Name: 2-(4-nitrophenyl)ethyl 4-methyl-2H-pyrazin-4-ium-1-carboxylate chloride Openeye Name: 2-(4-nitrophenyl)ethyl 4-methyl-2H-pyrazin-4-ium-1-carboxylate chloride CAS Name: 4-methyl-2H-pyrazin-4-ium-1-carboxylic acid 2-(4-nitrophenyl)ethyl ester chloride IUPAC Name: 2-(4-nitrophenyl)ethyl 4-methyl-2H-pyrazin-4-ium-1-carboxylate chloride Traditional Name: 4-methyl-2H-pyrazin-4-ium-1-carboxylic acid 2-(4-nitrophenyl)ethyl ester chloride Formula: C14H16ClN3O4 MolecularWeight: 325.74754

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CCN(C=C1)C(=O)OCCC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+]1=CCN(C=C1)C(=O)OCCC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H16N3O4.ClH/c1-15-7-9-16(10-8-15)14(18)21-11-6-12-2-4-13(5-3-12)17(19)20;/h2-5,7-9H,6,10-11H2,1H3;1H/q+1;/p-1