2-cyanoethyl-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-dimethyl-azanium bromide

Systemtic Name: 2-cyanoethyl-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-dimethyl-azanium bromide Openeye Name: 2-cyanoethyl-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-dimethyl-ammonium bromide CAS Name: 2-cyanoethyl-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-dimethylammonium bromide IUPAC Name: 2-cyanoethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]-dimethylazanium bromide Traditional Name: 2-cyanoethyl-[(2-keto-7-methoxy-chromen-4-yl)methyl]-dimethyl-ammonium bromide Formula: C16H19BrN2O3 MolecularWeight: 367.23766

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC#N)CC1=CC(=O)OC2=C1C=CC(=C2)OC.[Br-]

Isomeric SMILES

C[N+](C)(CCC#N)CC1=CC(=O)OC2=C1C=CC(=C2)OC.[Br-]

InChI

InChI=1S/C16H19N2O3.BrH/c1-18(2,8-4-7-17)11-12-9-16(19)21-15-10-13(20-3)5-6-14(12)15;/h5-6,9-10H,4,8,11H2,1-3H3;1H/q+1;/p-1