1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carbonitrile

Systemtic Name: 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carbonitrile Openeye Name: 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carbonitrile CAS Name: 1-[(3-bromophenyl)methyl]-4-piperidin-1-iumcarbonitrile IUPAC Name: 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carbonitrile Traditional Name: 1-(3-bromobenzyl)piperidin-1-ium-4-carbonitrile Formula: C13H16BrN2+ MolecularWeight: 280.18354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C#N)CC2=CC(=CC=C2)Br

Isomeric SMILES

C1C[NH+](CCC1C#N)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H15BrN2/c14-13-3-1-2-12(8-13)10-16-6-4-11(9-15)5-7-16/h1-3,8,11H,4-7,10H2/p+1