1,3-benzothiazol-2-ylmethyl-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-methyl-ammonium Formula: C22H27FN4OS+2 MolecularWeight: 414.539383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H25FN4OS/c1-25(15-21-24-19-8-4-5-9-20(19)29-21)16-22(28)27-12-10-26(11-13-27)14-17-6-2-3-7-18(17)23/h2-9H,10-16H2,1H3/p+2