4-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-phenylthiazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2-phenylthiazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C22H24N4S+2 MolecularWeight: 376.51776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4S/c23-14-18-6-8-19(9-7-18)15-25-10-12-26(13-11-25)16-21-17-27-22(24-21)20-4-2-1-3-5-20/h1-9,17H,10-13,15-16H2/p+2