methyl 5-(1-oxidanidyl-3-oxidanyl-4,5,6,7-tetrahydrobenzimidazol-1-ium-2-yl)pentanoate

Systemtic Name: methyl 5-(1-oxidanidyl-3-oxidanyl-4,5,6,7-tetrahydrobenzimidazol-1-ium-2-yl)pentanoate Openeye Name: methyl 5-(1-hydroxy-3-oxido-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)pentanoate CAS Name: 5-(1-hydroxy-3-oxido-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)pentanoic acid methyl ester IUPAC Name: methyl 5-(1-hydroxy-3-oxido-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)pentanoate Traditional Name: 5-(1-hydroxy-3-oxido-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)valeric acid methyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=[N+](C2=C(N1O)CCCC2)[O-]

Isomeric SMILES

COC(=O)CCCCC1=[N+](C2=C(N1O)CCCC2)[O-]

InChI

InChI=1S/C13H20N2O4/c1-19-13(16)9-5-4-8-12-14(17)10-6-2-3-7-11(10)15(12)18/h17H,2-9H2,1H3