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

Systemtic Name: methyl 3-chloranyl-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-carboxylate Openeye Name: methyl 6-benzyloxy-3-chloro-5-isobutyl-4-oxido-pyrazin-4-ium-2-carboxylate CAS Name: 3-chloro-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-chloro-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-carboxylate Traditional Name: 6-benzoxy-3-chloro-5-isobutyl-4-oxido-pyrazin-4-ium-2-carboxylic acid methyl ester Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4/c1-11(2)9-13-16(24-10-12-7-5-4-6-8-12)19-14(17(21)23-3)15(18)20(13)22/h4-8,11H,9-10H2,1-3H3