[3-(3,5-dimethylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(prop-2-enyl)azanium

Systemtic Name: [3-(3,5-dimethylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[[3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl]ammonium CAS Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[[3-(3,5-dimethylphenoxy)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl]ammonium Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC=C)CC=C)O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC=C)CC=C)O)C)C

InChI

InChI=1S/C25H27NO4/c1-6-10-26(11-7-2)15-21-22(27)9-8-20-23(28)24(18(5)29-25(20)21)30-19-13-16(3)12-17(4)14-19/h6-9,12-14,27H,1-2,10-11,15H2,3-5H3/p+1