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

Systemtic Name: N-tert-butyl-2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(4-chlorophenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(4-chlorophenyl)-2-thiazolyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(4-chlorophenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C19H26ClN4OS+ MolecularWeight: 393.95394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H25ClN4OS/c1-19(2,3)22-17(25)12-23-8-10-24(11-9-23)18-21-16(13-26-18)14-4-6-15(20)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,22,25)/p+1