dodecyl-dimethyl-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethyl]azanium bromide

Systemtic Name: dodecyl-dimethyl-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethyl]azanium bromide Openeye Name: dodecyl-dimethyl-[2-(4-methyl-2-oxo-chromen-7-yl)oxyethyl]ammonium bromide CAS Name: dodecyl-dimethyl-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]ethyl]ammonium bromide IUPAC Name: dodecyl-dimethyl-[2-(4-methyl-2-oxochromen-7-yl)oxyethyl]azanium bromide Traditional Name: 2-(2-keto-4-methyl-chromen-7-yl)oxyethyl-lauryl-dimethyl-ammonium bromide Formula: C26H42BrNO3 MolecularWeight: 496.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C.[Br-]

InChI

InChI=1S/C26H42NO3.BrH/c1-5-6-7-8-9-10-11-12-13-14-17-27(3,4)18-19-29-23-15-16-24-22(2)20-26(28)30-25(24)21-23;/h15-16,20-21H,5-14,17-19H2,1-4H3;1H/q+1;/p-1