3-bromanyl-1,1-dimethyl-4-phenyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium bromide

Systemtic Name: 3-bromanyl-1,1-dimethyl-4-phenyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium bromide Openeye Name: 3-bromo-5-isopropylidene-1,1-dimethyl-4-phenyl-2,6-dihydropyridin-1-ium bromide CAS Name: 3-bromo-1,1-dimethyl-4-phenyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium bromide IUPAC Name: 3-bromo-1,1-dimethyl-4-phenyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium bromide Traditional Name: 3-bromo-5-isopropylidene-1,1-dimethyl-4-phenyl-2,6-dihydropyridin-1-ium bromide Formula: C16H21Br2N MolecularWeight: 387.15264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C[N+](CC(=C1C2=CC=CC=C2)Br)(C)C)C.[Br-]

Isomeric SMILES

CC(=C1C[N+](CC(=C1C2=CC=CC=C2)Br)(C)C)C.[Br-]

InChI

InChI=1S/C16H21BrN.BrH/c1-12(2)14-10-18(3,4)11-15(17)16(14)13-8-6-5-7-9-13;/h5-9H,10-11H2,1-4H3;1H/q+1;/p-1