N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4,5-dimethylthiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4,5-dimethylthiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H22FN4OS+ MolecularWeight: 349.446183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C17H21FN4OS/c1-12-13(2)24-17(19-12)20-16(23)11-21-7-9-22(10-8-21)15-5-3-14(18)4-6-15/h3-6H,7-11H2,1-2H3,(H,19,20,23)/p+1