(E)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-2-ylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-2-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-(2-pyridylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-pyridinylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-(2-pyridylsulfonyl)acrylonitrile Formula: C19H21N4O2S+ MolecularWeight: 369.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=N3

InChI

InChI=1S/C19H20N4O2S/c20-14-18(26(24,25)19-8-4-5-9-21-19)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,16H,10-13,15H2/p+1/b18-16+