1H-indazol-3-yl-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1H-indazol-3-yl-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1H-indazol-3-yl-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1H-indazol-3-yl-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1H-indazol-3-yl-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1H-indazol-3-yl-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C22H22N5OS+ MolecularWeight: 404.50798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C4=NNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C4=NNC5=CC=CC=C54

InChI

InChI=1S/C22H21N5OS/c28-22(20-18-8-4-5-9-19(18)24-25-20)27-12-10-26(11-13-27)14-17-15-29-21(23-17)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,24,25)/p+1