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

Systemtic Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(4-chlorophenyl)-2-thiazolyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H22ClN4OS+ MolecularWeight: 413.94358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-21(23-19)24-20(27)14-25-10-12-26(13-11-25)18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H,23,24,27)/p+1