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

Systemtic Name: 3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propanenitrile Openeye Name: 3-[(1-benzylpiperidin-1-ium-4-yl)amino]propanenitrile CAS Name: 3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]propanenitrile IUPAC Name: 3-[(1-benzylpiperidin-1-ium-4-yl)amino]propanenitrile Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-yl)amino]propionitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NCCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1NCCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C15H21N3/c16-9-4-10-17-15-7-11-18(12-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-8,10-13H2/p+1