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

Systemtic Name: 2-[2-[3-(4-chlorophenyl)-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[3-(4-chlorophenyl)-2-oxo-chromen-7-yl]oxyacetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[[3-(4-chlorophenyl)-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxyacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[3-(4-chlorophenyl)-2-keto-chromen-7-yl]oxyacetyl]amino]ethyl-dimethyl-ammonium Formula: C21H22ClN2O4+ MolecularWeight: 401.86338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-24(2)10-9-23-20(25)13-27-17-8-5-15-11-18(21(26)28-19(15)12-17)14-3-6-16(22)7-4-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,25)/p+1