[3-[3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [3-[3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxy-2-hydroxy-propyl]-methyl-ammonium CAS Name: [3-[[3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]-2-hydroxypropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxy-2-hydroxypropyl]-methylazanium Traditional Name: benzyl-[3-[3-(3,5-dimethylphenoxy)-4-keto-chromen-7-yl]oxy-2-hydroxy-propyl]-methyl-ammonium Formula: C28H30NO5+ MolecularWeight: 460.5415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(C[NH+](C)CC4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(C[NH+](C)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C28H29NO5/c1-19-11-20(2)13-24(12-19)34-27-18-33-26-14-23(9-10-25(26)28(27)31)32-17-22(30)16-29(3)15-21-7-5-4-6-8-21/h4-14,18,22,30H,15-17H2,1-3H3/p+1