methyl N-[2-oxidanyl-4-(2-pyridin-1-ium-1-ylethanoylamino)phenyl]carbamate chloride

Systemtic Name: methyl N-[2-oxidanyl-4-(2-pyridin-1-ium-1-ylethanoylamino)phenyl]carbamate chloride Openeye Name: methyl N-[2-hydroxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamate chloride CAS Name: N-[2-hydroxy-4-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]phenyl]carbamic acid methyl ester chloride IUPAC Name: methyl N-[2-hydroxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamate chloride Traditional Name: N-[2-hydroxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamic acid methyl ester chloride Formula: C15H16ClN3O4 MolecularWeight: 337.75824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

COC(=O)NC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C15H15N3O4.ClH/c1-22-15(21)17-12-6-5-11(9-13(12)19)16-14(20)10-18-7-3-2-4-8-18;/h2-9H,10H2,1H3,(H2-,16,17,19,20,21);1H