1-phenethyl-1-(phenylcarbonyl)azepan-1-ium-2-carbonitrile

Systemtic Name: 1-phenethyl-1-(phenylcarbonyl)azepan-1-ium-2-carbonitrile Openeye Name: 1-benzoyl-1-phenethyl-azepan-1-ium-2-carbonitrile CAS Name: 1-benzoyl-1-phenethyl-2-azepan-1-iumcarbonitrile IUPAC Name: 1-benzoyl-1-phenethylazepan-1-ium-2-carbonitrile Traditional Name: 1-benzoyl-1-phenethyl-azepan-1-ium-2-carbonitrile Formula: C22H25N2O+ MolecularWeight: 333.4467

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC([N+](CC1)(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC([N+](CC1)(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H25N2O/c23-18-21-14-8-3-9-16-24(21,17-15-19-10-4-1-5-11-19)22(25)20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-17H2/q+1