methyl N-[2-methoxy-5-oxidanyl-4-(2-pyridin-1-ium-2-ylethanoylamino)phenyl]carbamate chloride

Systemtic Name: methyl N-[2-methoxy-5-oxidanyl-4-(2-pyridin-1-ium-2-ylethanoylamino)phenyl]carbamate chloride Openeye Name: methyl N-[5-hydroxy-2-methoxy-4-[(2-pyridin-1-ium-2-ylacetyl)amino]phenyl]carbamate chloride CAS Name: N-[5-hydroxy-2-methoxy-4-[[1-oxo-2-(2-pyridin-1-iumyl)ethyl]amino]phenyl]carbamic acid methyl ester chloride IUPAC Name: methyl N-[5-hydroxy-2-methoxy-4-[(2-pyridin-1-ium-2-ylacetyl)amino]phenyl]carbamate chloride Traditional Name: N-[5-hydroxy-2-methoxy-4-[(2-pyridin-1-ium-2-ylacetyl)amino]phenyl]carbamic acid methyl ester chloride Formula: C16H18ClN3O5 MolecularWeight: 367.78422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)CC2=CC=CC=[NH+]2)O)NC(=O)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)CC2=CC=CC=[NH+]2)O)NC(=O)OC.[Cl-]

InChI

InChI=1S/C16H17N3O5.ClH/c1-23-14-9-11(13(20)8-12(14)19-16(22)24-2)18-15(21)7-10-5-3-4-6-17-10;/h3-6,8-9,20H,7H2,1-2H3,(H,18,21)(H,19,22);1H