N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H24FN4O2S+ MolecularWeight: 427.514963

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H23FN4O2S/c1-2-27(22-24-18-9-5-6-10-19(18)30-22)20(28)15-25-11-13-26(14-12-25)21(29)16-7-3-4-8-17(16)23/h3-10H,2,11-15H2,1H3/p+1