2-[2-[1,3-bis(oxidanylidene)-2-phenyl-inden-2-yl]-2-phenyl-ethanoyl]oxyethyl-diethyl-azanium chloride

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)-2-phenyl-inden-2-yl]-2-phenyl-ethanoyl]oxyethyl-diethyl-azanium chloride Openeye Name: 2-[2-(1,3-dioxo-2-phenyl-indan-2-yl)-2-phenyl-acetyl]oxyethyl-diethyl-ammonium chloride CAS Name: 2-[2-(1,3-dioxo-2-phenyl-2-indenyl)-1-oxo-2-phenylethoxy]ethyl-diethylammonium chloride IUPAC Name: 2-[2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylacetyl]oxyethyl-diethylazanium chloride Traditional Name: 2-[2-(1,3-diketo-2-phenyl-indan-2-yl)-2-phenyl-acetyl]oxyethyl-diethyl-ammonium chloride Formula: C29H30ClNO4 MolecularWeight: 492.0058

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C29H29NO4.ClH/c1-3-30(4-2)19-20-34-28(33)25(21-13-7-5-8-14-21)29(22-15-9-6-10-16-22)26(31)23-17-11-12-18-24(23)27(29)32;/h5-18,25H,3-4,19-20H2,1-2H3;1H