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

Systemtic Name: 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C20H22N3OS+ MolecularWeight: 352.47318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c24-19-9-5-4-8-18(19)23-12-10-22(11-13-23)14-17-15-25-20(21-17)16-6-2-1-3-7-16/h1-9,15,24H,10-14H2/p+1