2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)acetonitrile CAS Name: 2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)acetonitrile Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)acetonitrile Formula: C14H19N2+ MolecularWeight: 215.31406

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC#N

InChI

InChI=1S/C14H18N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-7,9-12H2/p+1