3-[2-[3-(4-chlorophenyl)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[3-(4-chlorophenyl)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[3-(4-chlorophenyl)-4-oxo-chromen-7-yl]oxyacetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[[3-(4-chlorophenyl)-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[3-(4-chlorophenyl)-4-keto-chromen-7-yl]oxyacetyl]amino]propyl-dimethyl-ammonium Formula: C22H24ClN2O4+ MolecularWeight: 415.88996

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O4/c1-25(2)11-3-10-24-21(26)14-28-17-8-9-18-20(12-17)29-13-19(22(18)27)15-4-6-16(23)7-5-15/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,26)/p+1