[1-[1,3-bis(oxidanylidene)-2-phenyl-inden-2-yl]-2-methoxy-2-oxidanylidene-ethyl]-trimethyl-azanium chloride

Systemtic Name: [1-[1,3-bis(oxidanylidene)-2-phenyl-inden-2-yl]-2-methoxy-2-oxidanylidene-ethyl]-trimethyl-azanium chloride Openeye Name: [1-(1,3-dioxo-2-phenyl-indan-2-yl)-2-methoxy-2-oxo-ethyl]-trimethyl-ammonium chloride CAS Name: [1-(1,3-dioxo-2-phenyl-2-indenyl)-2-methoxy-2-oxoethyl]-trimethylammonium chloride IUPAC Name: [1-(1,3-dioxo-2-phenylinden-2-yl)-2-methoxy-2-oxoethyl]-trimethylazanium chloride Traditional Name: [1-(1,3-diketo-2-phenyl-indan-2-yl)-2-keto-2-methoxy-ethyl]-trimethyl-ammonium chloride Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(C(=O)OC)C1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[N+](C)(C)C(C(=O)OC)C1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H22NO4.ClH/c1-22(2,3)17(20(25)26-4)21(14-10-6-5-7-11-14)18(23)15-12-8-9-13-16(15)19(21)24;/h5-13,17H,1-4H3;1H/q+1;/p-1