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

Systemtic Name: 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N,N-diphenyl-ethanamide Openeye Name: 2-[4-[4-(4-chlorophenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-N,N-diphenyl-acetamide CAS Name: 2-[4-[4-(4-chlorophenyl)-2-thiazolyl]-1-piperazin-1-iumyl]-N,N-diphenylacetamide IUPAC Name: 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N,N-diphenylacetamide Traditional Name: 2-[4-[4-(4-chlorophenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-N,N-diphenyl-acetamide Formula: C27H26ClN4OS+ MolecularWeight: 490.03954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4OS/c28-22-13-11-21(12-14-22)25-20-34-27(29-25)31-17-15-30(16-18-31)19-26(33)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,20H,15-19H2/p+1