diethyl-[2-[2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-3-yl)ethanoyloxy]ethyl]azanium chloride

Systemtic Name: diethyl-[2-[2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-3-yl)ethanoyloxy]ethyl]azanium chloride Openeye Name: diethyl-[2-[2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetyl]oxyethyl]ammonium chloride CAS Name: diethyl-[2-[1-oxo-2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)ethoxy]ethyl]ammonium chloride IUPAC Name: diethyl-[2-[2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetyl]oxyethyl]azanium chloride Traditional Name: diethyl-[2-[2-(11-keto-6H-benzo[c][1]benzoxepin-3-yl)acetyl]oxyethyl]ammonium chloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CO2.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CO2.[Cl-]

InChI

InChI=1S/C22H25NO4.ClH/c1-3-23(4-2)11-12-26-21(24)14-16-9-10-19-20(13-16)27-15-17-7-5-6-8-18(17)22(19)25;/h5-10,13H,3-4,11-12,14-15H2,1-2H3;1H