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

Systemtic Name: 1,1-dimethyl-4-phenyl-azepan-1-ium-4-carbonitrile Openeye Name: 1,1-dimethyl-4-phenyl-azepan-1-ium-4-carbonitrile CAS Name: 1,1-dimethyl-4-phenyl-4-azepan-1-iumcarbonitrile IUPAC Name: 1,1-dimethyl-4-phenylazepan-1-ium-4-carbonitrile Traditional Name: 1,1-dimethyl-4-phenyl-azepan-1-ium-4-carbonitrile Formula: C15H21N2+ MolecularWeight: 229.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N2/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/q+1