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

Systemtic Name: methyl 5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-carboxylate Openeye Name: methyl 6-benzyloxy-5-isobutyl-4-oxido-pyrazin-4-ium-2-carboxylate CAS Name: 5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-carboxylate Traditional Name: 6-benzoxy-5-isobutyl-4-oxido-pyrazin-4-ium-2-carboxylic acid methyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-12(2)9-15-16(23-11-13-7-5-4-6-8-13)18-14(10-19(15)21)17(20)22-3/h4-8,10,12H,9,11H2,1-3H3