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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C14H16N4O2S/c15-6-3-7-17-8-10-18(11-9-17)21(19,20)14-5-2-1-4-13(14)12-16/h1-2,4-5H,3,7-11H2/p+1