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

Systemtic Name: N-(4-chlorophenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chlorophenyl)-2-[4-(4-phenyl-2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[4-(4-phenylthiazol-2-yl)piperazin-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=CC=C(C=C2)Cl)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Cl)C3=NC(=CS3)C4=CC=CC=C4

InChI

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