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

Systemtic Name: 2-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-1-yl]-3-phenyl-propanenitrile Openeye Name: 2-[1-(1-naphthylmethyl)piperidin-1-ium-1-yl]-3-phenyl-propanenitrile CAS Name: 2-[1-(1-naphthalenylmethyl)-1-piperidin-1-iumyl]-3-phenylpropanenitrile IUPAC Name: 2-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-1-yl]-3-phenylpropanenitrile Traditional Name: 2-[1-(1-naphthylmethyl)piperidin-1-ium-1-yl]-3-phenyl-propionitrile Formula: C25H27N2+ MolecularWeight: 355.49528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=CC3=CC=CC=C32)C(CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC3=CC=CC=C32)C(CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H27N2/c26-19-24(18-21-10-3-1-4-11-21)27(16-7-2-8-17-27)20-23-14-9-13-22-12-5-6-15-25(22)23/h1,3-6,9-15,24H,2,7-8,16-18,20H2/q+1