1,1-dimethyl-4-phenyl-azepan-1-ium-4-carbonitrile bromide

Systemtic Name: 1,1-dimethyl-4-phenyl-azepan-1-ium-4-carbonitrile bromide Openeye Name: 1,1-dimethyl-4-phenyl-azepan-1-ium-4-carbonitrile bromide CAS Name: 1,1-dimethyl-4-phenyl-4-azepan-1-iumcarbonitrile bromide IUPAC Name: 1,1-dimethyl-4-phenylazepan-1-ium-4-carbonitrile bromide Traditional Name: 1,1-dimethyl-4-phenyl-azepan-1-ium-4-carbonitrile bromide Formula: C15H21BrN2 MolecularWeight: 309.24464

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(CC1)(C#N)C2=CC=CC=C2)C.[Br-]

Isomeric SMILES

C[N+]1(CCCC(CC1)(C#N)C2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C15H21N2.BrH/c1-17(2)11-6-9-15(13-16,10-12-17)14-7-4-3-5-8-14;/h3-5,7-8H,6,9-12H2,1-2H3;1H/q+1;/p-1