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

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[2-(4-chlorophenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[2-(4-chlorophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[2-(4-chlorophenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4O

InChI

InChI=1S/C20H20ClN3OS/c21-16-7-5-15(6-8-16)20-22-17(14-26-20)13-23-9-11-24(12-10-23)18-3-1-2-4-19(18)25/h1-8,14,25H,9-13H2/p+1