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

Systemtic Name: 3-[1-(phenylmethyl)piperidin-1-ium-4-yl]oxypropanenitrile Openeye Name: 3-(1-benzylpiperidin-1-ium-4-yl)oxypropanenitrile CAS Name: 3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]oxy]propanenitrile IUPAC Name: 3-(1-benzylpiperidin-1-ium-4-yl)oxypropanenitrile Traditional Name: 3-(1-benzylpiperidin-1-ium-4-yl)oxypropionitrile Formula: C15H21N2O+ MolecularWeight: 245.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1OCCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-8,10-13H2/p+1