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

Systemtic Name: 3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methoxy]propanenitrile Openeye Name: 3-[(1-benzylpiperidin-1-ium-4-yl)methoxy]propanenitrile CAS Name: 3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methoxy]propanenitrile IUPAC Name: 3-[(1-benzylpiperidin-1-ium-4-yl)methoxy]propanenitrile Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-yl)methoxy]propionitrile Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1COCCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1COCCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O/c17-9-4-12-19-14-16-7-10-18(11-8-16)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-8,10-14H2/p+1