methyl-[[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)chromen-8-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)chromen-8-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)chromen-8-yl]methyl]-methyl-ammonium CAS Name: [7-hydroxy-4-oxo-3-(4-phenylphenoxy)-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[7-hydroxy-4-oxo-3-(4-phenylphenoxy)chromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[7-hydroxy-4-keto-3-(4-phenylphenoxy)chromen-8-yl]methyl]-methyl-ammonium Formula: C30H26NO4+ MolecularWeight: 464.53174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C30H25NO4/c1-31(18-21-8-4-2-5-9-21)19-26-27(32)17-16-25-29(33)28(20-34-30(25)26)35-24-14-12-23(13-15-24)22-10-6-3-7-11-22/h2-17,20,32H,18-19H2,1H3/p+1