methyl 3-(dodecanoylamino)-1-oxidanidyl-pyridin-1-ium-2-carboxylate

Systemtic Name: methyl 3-(dodecanoylamino)-1-oxidanidyl-pyridin-1-ium-2-carboxylate Openeye Name: methyl 3-(dodecanoylamino)-1-oxido-pyridin-1-ium-2-carboxylate CAS Name: 1-oxido-3-(1-oxododecylamino)-2-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(dodecanoylamino)-1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 3-(lauroylamino)-1-oxido-pyridin-1-ium-2-carboxylic acid methyl ester Formula: C19H30N2O4 MolecularWeight: 350.4525

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C([N+](=CC=C1)[O-])C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C([N+](=CC=C1)[O-])C(=O)OC

InChI

InChI=1S/C19H30N2O4/c1-3-4-5-6-7-8-9-10-11-14-17(22)20-16-13-12-15-21(24)18(16)19(23)25-2/h12-13,15H,3-11,14H2,1-2H3,(H,20,22)