methyl N-[4-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethanoylamino]-2-oxidanyl-phenyl]carbamate chloride

Systemtic Name: methyl N-[4-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethanoylamino]-2-oxidanyl-phenyl]carbamate chloride Openeye Name: methyl N-[2-hydroxy-4-[[2-(3-methyl-1H-imidazol-3-ium-2-yl)acetyl]amino]phenyl]carbamate chloride CAS Name: N-[2-hydroxy-4-[[2-(3-methyl-1H-imidazol-3-ium-2-yl)-1-oxoethyl]amino]phenyl]carbamic acid methyl ester chloride IUPAC Name: methyl N-[2-hydroxy-4-[[2-(3-methyl-1H-imidazol-3-ium-2-yl)acetyl]amino]phenyl]carbamate chloride Traditional Name: N-[2-hydroxy-4-[[2-(3-methyl-1H-imidazol-3-ium-2-yl)acetyl]amino]phenyl]carbamic acid methyl ester chloride Formula: C14H17ClN4O4 MolecularWeight: 340.76218

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CC(=O)NC2=CC(=C(C=C2)NC(=O)OC)O.[Cl-]

Isomeric SMILES

C[N+]1=C(NC=C1)CC(=O)NC2=CC(=C(C=C2)NC(=O)OC)O.[Cl-]

InChI

InChI=1S/C14H16N4O4.ClH/c1-18-6-5-15-12(18)8-13(20)16-9-3-4-10(11(19)7-9)17-14(21)22-2;/h3-7H,8H2,1-2H3,(H3,16,17,19,20,21);1H