2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanimidate

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanimidate Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-phenylthiazol-2-yl)ethanimidate CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-(4-phenyl-2-thiazolyl)ethanimidate IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimidate Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-phenylthiazol-2-yl)acetimidate Formula: C28H28N4OS MolecularWeight: 468.61312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=NC2=NC(=CS2)C3=CC=CC=C3)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=NC2=NC(=CS2)C3=CC=CC=C3)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4OS/c33-26(30-28-29-25(21-34-28)22-10-4-1-5-11-22)20-31-16-18-32(19-17-31)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21,27H,16-20H2,(H,29,30,33)