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

Systemtic Name: 2-[4-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(4-hydroxy-1-piperidin-1-iumyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C18H25N4O4S+ MolecularWeight: 393.4805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1C[NH+](CCC1O)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H24N4O4S/c19-13-15-3-1-2-4-17(15)27(25,26)22-11-9-21(10-12-22)18(24)14-20-7-5-16(23)6-8-20/h1-4,16,23H,5-12,14H2/p+1