methyl 3-(cyclohexylcarbonyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-(cyclohexylcarbonyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(cyclohexanecarbonyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[cyclohexyl(oxo)methoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(cyclohexanecarbonyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(cyclohexanecarbonyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3CCCCC3)[O-]

Isomeric SMILES

COC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3CCCCC3)[O-]

InChI

InChI=1S/C18H20N2O5/c1-24-18(22)16-14(11-25-17(21)12-7-3-2-4-8-12)19-13-9-5-6-10-15(13)20(16)23/h5-6,9-10,12H,2-4,7-8,11H2,1H3