methyl 2-[(2,6-dimethyl-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(2,6-dimethyl-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(2,6-dimethyl-1-oxido-4-propoxy-pyridin-1-ium-3-carbonyl)amino]benzoate CAS Name: 2-[[(2,6-dimethyl-1-oxido-4-propoxy-3-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2,6-dimethyl-1-oxido-4-propoxypyridin-1-ium-3-carbonyl)amino]benzoate Traditional Name: 2-[(2,6-dimethyl-1-oxido-4-propoxy-pyridin-1-ium-3-carbonyl)amino]benzoic acid methyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=CC=CC=C2C(=O)OC)C)[O-])C

Isomeric SMILES

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=CC=CC=C2C(=O)OC)C)[O-])C

InChI

InChI=1S/C19H22N2O5/c1-5-10-26-16-11-12(2)21(24)13(3)17(16)18(22)20-15-9-7-6-8-14(15)19(23)25-4/h6-9,11H,5,10H2,1-4H3,(H,20,22)