ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]benzimidazol-1-ium-5-carboxylate chloride

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]benzimidazol-1-ium-5-carboxylate chloride Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzimidazol-1-ium-5-carboxylate chloride CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzimidazol-1-ium-5-carboxylate chloride Traditional Name: 1-ethyl-3-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester chloride Formula: C23H24ClN3O5 MolecularWeight: 457.90676

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C.[Cl-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C.[Cl-]

InChI

InChI=1S/C23H23N3O5.ClH/c1-4-25-14(3)26(19-11-16(6-8-18(19)25)23(29)30-5-2)12-20(27)15-7-9-21-17(10-15)24-22(28)13-31-21;/h6-11H,4-5,12-13H2,1-3H3;1H