3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanenitrile Openeye Name: 3-(4-benzylpiperidin-1-ium-1-yl)propanenitrile CAS Name: 3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanenitrile IUPAC Name: 3-(4-benzylpiperidin-1-ium-1-yl)propanenitrile Traditional Name: 3-(4-benzylpiperidin-1-ium-1-yl)propionitrile Formula: C15H21N2+ MolecularWeight: 229.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2/c16-9-4-10-17-11-7-15(8-12-17)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-8,10-13H2/p+1