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

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c14-11-12-3-1-2-4-13(12)20(18,19)16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-10H2/p+1