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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-thiazol-2-yl-acetamide CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-(2-thiazolyl)acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-thiazol-2-yl-acetamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4OS/c27-20(24-22-23-11-16-28-22)17-25-12-14-26(15-13-25)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-11,16,21H,12-15,17H2,(H,23,24,27)/p+1