2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-ethyl-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-(4-fluorophenyl)acetamide Formula: C22H27FN4OS+2 MolecularWeight: 414.539383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25FN4OS/c1-2-27(18-9-7-17(23)8-10-18)22(28)16-26-13-11-25(12-14-26)15-21-24-19-5-3-4-6-20(19)29-21/h3-10H,2,11-16H2,1H3/p+2