3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile

Systemtic Name: 3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile Openeye Name: 3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile CAS Name: 3-(1-phenacyl-1-piperidin-1-iumyl)propanenitrile IUPAC Name: 3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile Traditional Name: 3-(1-phenacylpiperidin-1-ium-1-yl)propionitrile Formula: C16H21N2O+ MolecularWeight: 257.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCC#N)CC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC[N+](CC1)(CCC#N)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21N2O/c17-10-7-13-18(11-5-2-6-12-18)14-16(19)15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,11-14H2/q+1