4-[[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[[2-(2-thienyl)oxazol-4-yl]methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-thiophen-2-yl-4-oxazolyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[[2-(2-thienyl)oxazol-4-yl]methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C20H22N4OS+2 MolecularWeight: 366.47988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C20H20N4OS/c21-12-16-3-5-17(6-4-16)13-23-7-9-24(10-8-23)14-18-15-25-20(22-18)19-2-1-11-26-19/h1-6,11,15H,7-10,13-14H2/p+2