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

Systemtic Name: 3-phenyl-2-[1-(phenylmethyl)piperidin-1-ium-1-yl]propanenitrile Openeye Name: 2-(1-benzylpiperidin-1-ium-1-yl)-3-phenyl-propanenitrile CAS Name: 3-phenyl-2-[1-(phenylmethyl)-1-piperidin-1-iumyl]propanenitrile IUPAC Name: 2-(1-benzylpiperidin-1-ium-1-yl)-3-phenylpropanenitrile Traditional Name: 2-(1-benzylpiperidin-1-ium-1-yl)-3-phenyl-propionitrile Formula: C21H25N2+ MolecularWeight: 305.4366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=CC=C2)C(CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC=C2)C(CC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H25N2/c22-17-21(16-19-10-4-1-5-11-19)23(14-8-3-9-15-23)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-16,18H2/q+1