methyl 7-(dimethylamino)-4-oxidanyl-3-oxidanylidene-phenoxazin-10-ium-1-carboxylate chloride

Systemtic Name: methyl 7-(dimethylamino)-4-oxidanyl-3-oxidanylidene-phenoxazin-10-ium-1-carboxylate chloride Openeye Name: methyl 7-(dimethylamino)-4-hydroxy-3-oxo-phenoxazin-10-ium-1-carboxylate chloride CAS Name: 7-(dimethylamino)-4-hydroxy-3-oxo-1-phenoxazin-10-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl 7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylate chloride Traditional Name: 7-(dimethylamino)-4-hydroxy-3-keto-phenoxazin-10-ium-1-carboxylic acid methyl ester chloride Formula: C16H15ClN2O5 MolecularWeight: 350.7537

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)OC.[Cl-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)OC.[Cl-]

InChI

InChI=1S/C16H14N2O5.ClH/c1-18(2)8-4-5-10-12(6-8)23-15-13(17-10)9(16(21)22-3)7-11(19)14(15)20;/h4-7,20H,1-3H3;1H