2-[1-(phenylmethyl)piperidin-1-ium-1-yl]ethanenitrile chloride

Systemtic Name: 2-[1-(phenylmethyl)piperidin-1-ium-1-yl]ethanenitrile chloride Openeye Name: 2-(1-benzylpiperidin-1-ium-1-yl)acetonitrile chloride CAS Name: 2-[1-(phenylmethyl)-1-piperidin-1-iumyl]acetonitrile chloride IUPAC Name: 2-(1-benzylpiperidin-1-ium-1-yl)acetonitrile chloride Traditional Name: 2-(1-benzylpiperidin-1-ium-1-yl)acetonitrile chloride Formula: C14H19ClN2 MolecularWeight: 250.76706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#N)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1CC[N+](CC1)(CC#N)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C14H19N2.ClH/c15-9-12-16(10-5-2-6-11-16)13-14-7-3-1-4-8-14;/h1,3-4,7-8H,2,5-6,10-13H2;1H/q+1;/p-1