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

Systemtic Name: [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[2-(2-chlorophenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[2-(2-chlorophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[[2-(2-chlorophenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H21ClN3OS+ MolecularWeight: 398.92894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3OS/c22-19-9-5-4-8-18(19)20-23-17(15-27-20)14-24-10-12-25(13-11-24)21(26)16-6-2-1-3-7-16/h1-9,15H,10-14H2/p+1