(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]azanium

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]azanium Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]ammonium CAS Name: (7-bromo-2-oxo-1-benzopyran-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]ammonium IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]azanium Traditional Name: (7-bromo-2-keto-chromen-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]ammonium Formula: C20H21BrNO3+ MolecularWeight: 403.28964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC[NH+](C)CC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=CC=CC=C1OCC[NH+](C)CC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C20H20BrNO3/c1-14-5-3-4-6-18(14)24-10-9-22(2)13-15-11-20(23)25-19-12-16(21)7-8-17(15)19/h3-8,11-12H,9-10,13H2,1-2H3/p+1