4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanenitrile

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanenitrile Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanenitrile CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanenitrile IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanenitrile Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazino)butyronitrile Formula: C13H19N4+ MolecularWeight: 231.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC#N)C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CCN1CCCC#N)C2=CC=CC=[NH+]2

InChI

InChI=1S/C13H18N4/c14-6-2-4-8-16-9-11-17(12-10-16)13-5-1-3-7-15-13/h1,3,5,7H,2,4,8-12H2/p+1