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

Systemtic Name: 3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile bromide Openeye Name: 3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile bromide CAS Name: 3-(1-phenacyl-1-piperidin-1-iumyl)propanenitrile bromide IUPAC Name: 3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile bromide Traditional Name: 3-(1-phenacylpiperidin-1-ium-1-yl)propionitrile bromide Formula: C16H21BrN2O MolecularWeight: 337.25474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N2O.BrH/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;1H/q+1;/p-1