methyl 4-[[methyl-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-(1-oxidopyridin-1-ium-4-carbonyl)amino]methyl]benzoate CAS Name: 4-[[methyl-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-(1-oxidopyridin-1-ium-4-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[methyl-(1-oxidopyridin-1-ium-4-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C16H16N2O4/c1-17(15(19)13-7-9-18(21)10-8-13)11-12-3-5-14(6-4-12)16(20)22-2/h3-10H,11H2,1-2H3