4-[[(3S)-4-oxidanylidenepiperidin-1-ium-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(3S)-4-oxidanylidenepiperidin-1-ium-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(3S)-4-oxopiperidin-1-ium-3-yl]methyl]benzonitrile CAS Name: 4-[[(3S)-4-oxo-3-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[(3S)-4-oxopiperidin-1-ium-3-yl]methyl]benzonitrile Traditional Name: 4-[[(3S)-4-ketopiperidin-1-ium-3-yl]methyl]benzonitrile Formula: C13H15N2O+ MolecularWeight: 215.271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC(C1=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1C[NH2+]C[C@@H](C1=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N2O/c14-8-11-3-1-10(2-4-11)7-12-9-15-6-5-13(12)16/h1-4,12,15H,5-7,9H2/p+1/t12-/m0/s1