[3-(2,4-dichlorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [3-(2,4-dichlorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(2,4-dichlorophenyl)-7-hydroxy-4-oxo-chromen-8-yl]methyl]-ethyl-ammonium CAS Name: [3-(2,4-dichlorophenyl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(2,4-dichlorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl]-ethylazanium Traditional Name: benzyl-[[3-(2,4-dichlorophenyl)-7-hydroxy-4-keto-chromen-8-yl]methyl]-ethyl-ammonium Formula: C25H22Cl2NO3+ MolecularWeight: 455.35308

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C25H21Cl2NO3/c1-2-28(13-16-6-4-3-5-7-16)14-20-23(29)11-10-19-24(30)21(15-31-25(19)20)18-9-8-17(26)12-22(18)27/h3-12,15,29H,2,13-14H2,1H3/p+1