4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(2-cyanoethyl)-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C14H17N4O2S+ MolecularWeight: 305.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N4O2S/c15-6-1-7-17-8-10-18(11-9-17)21(19,20)14-4-2-13(12-16)3-5-14/h2-5H,1,7-11H2/p+1