methyl 3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-carboxylate

Systemtic Name: methyl 3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-carboxylate Openeye Name: methyl 6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-carboxylate CAS Name: 3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-carboxylate Traditional Name: 6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-carboxylic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)C(=O)OC)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)C(=O)OC)OC)[O-]

InChI

InChI=1S/C18H22N2O5/c1-12(2)10-14-16(25-11-13-8-6-5-7-9-13)19-15(18(21)24-4)17(23-3)20(14)22/h5-9,12H,10-11H2,1-4H3