2-(4-ethylpiperazin-4-ium-1-yl)pyridine-3-carbonitrile

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)pyridine-3-carbonitrile Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)pyridine-3-carbonitrile CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)pyridine-3-carbonitrile Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)nicotinonitrile Formula: C12H17N4+ MolecularWeight: 217.29018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=CC=N2)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=CC=N2)C#N

InChI

InChI=1S/C12H16N4/c1-2-15-6-8-16(9-7-15)12-11(10-13)4-3-5-14-12/h3-5H,2,6-9H2,1H3/p+1