[3-(4-chlorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-di(propan-2-yl)azanium

Systemtic Name: [3-(4-chlorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-di(propan-2-yl)azanium Openeye Name: [3-(4-chlorophenyl)-7-hydroxy-4-oxo-chromen-8-yl]methyl-diisopropyl-ammonium CAS Name: [3-(4-chlorophenyl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-di(propan-2-yl)ammonium IUPAC Name: [3-(4-chlorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl-di(propan-2-yl)azanium Traditional Name: [3-(4-chlorophenyl)-7-hydroxy-4-keto-chromen-8-yl]methyl-diisopropyl-ammonium Formula: C22H25ClNO3+ MolecularWeight: 386.8918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)Cl)O)C(C)C

Isomeric SMILES

CC(C)[NH+](CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)Cl)O)C(C)C

InChI

InChI=1S/C22H24ClNO3/c1-13(2)24(14(3)4)11-18-20(25)10-9-17-21(26)19(12-27-22(17)18)15-5-7-16(23)8-6-15/h5-10,12-14,25H,11H2,1-4H3/p+1