2-phenyl-1-(piperazine-1,4-diium-1-ylmethyl)imidazo[2,1-b][1,3]benzothiazole

Systemtic Name: 2-phenyl-1-(piperazine-1,4-diium-1-ylmethyl)imidazo[2,1-b][1,3]benzothiazole Openeye Name: 2-phenyl-1-(piperazine-1,4-diium-1-ylmethyl)imidazo[2,1-b][1,3]benzothiazole CAS Name: 2-phenyl-1-(1-piperazine-1,4-diiumylmethyl)imidazo[2,1-b][1,3]benzothiazole IUPAC Name: 2-phenyl-1-(piperazine-1,4-diium-1-ylmethyl)imidazo[2,1-b][1,3]benzothiazole Traditional Name: 2-phenyl-1-(piperazine-1,4-diium-1-ylmethyl)imidazo[2,1-b][1,3]benzothiazole Formula: C20H22N4S+2 MolecularWeight: 350.48048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC2=C(N=C3N2C4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC2=C(N=C3N2C4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C20H20N4S/c1-2-6-15(7-3-1)19-17(14-23-12-10-21-11-13-23)24-16-8-4-5-9-18(16)25-20(24)22-19/h1-9,21H,10-14H2/p+2