3-phenyl-2-[1-(phenylmethyl)azepan-1-ium-1-yl]propanenitrile

Systemtic Name: 3-phenyl-2-[1-(phenylmethyl)azepan-1-ium-1-yl]propanenitrile Openeye Name: 2-(1-benzylazepan-1-ium-1-yl)-3-phenyl-propanenitrile CAS Name: 3-phenyl-2-[1-(phenylmethyl)-1-azepan-1-iumyl]propanenitrile IUPAC Name: 2-(1-benzylazepan-1-ium-1-yl)-3-phenylpropanenitrile Traditional Name: 2-(1-benzylazepan-1-ium-1-yl)-3-phenyl-propionitrile Formula: C22H27N2+ MolecularWeight: 319.46318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](CC1)(CC2=CC=CC=C2)C(CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC[N+](CC1)(CC2=CC=CC=C2)C(CC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H27N2/c23-18-22(17-20-11-5-3-6-12-20)24(15-9-1-2-10-16-24)19-21-13-7-4-8-14-21/h3-8,11-14,22H,1-2,9-10,15-17,19H2/q+1