ethyl 6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-carboxylate

Systemtic Name: ethyl 6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-carboxylate Openeye Name: ethyl 6-[(2-chlorophenyl)methoxy]-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-carboxylate CAS Name: 6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-carboxylate Traditional Name: 6-(2-chlorobenzyl)oxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-carboxylic acid ethyl ester Formula: C19H23ClN2O5 MolecularWeight: 394.84932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(C(=N1)OCC2=CC=CC=C2Cl)CC(C)C)[O-])OC

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(C(=N1)OCC2=CC=CC=C2Cl)CC(C)C)[O-])OC

InChI

InChI=1S/C19H23ClN2O5/c1-5-26-19(23)16-18(25-4)22(24)15(10-12(2)3)17(21-16)27-11-13-8-6-7-9-14(13)20/h6-9,12H,5,10-11H2,1-4H3