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

Systemtic Name: 2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethanenitrile Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]acetonitrile CAS Name: 2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]acetonitrile IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]acetonitrile Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]acetonitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1NCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C14H19N3/c15-8-9-16-14-6-10-17(11-7-14)12-13-4-2-1-3-5-13/h1-5,14,16H,6-7,9-12H2/p+1