2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetimidate Formula: C19H18FN5O3S MolecularWeight: 415.441323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C19H18FN5O3S/c20-13-1-3-14(4-2-13)24-9-7-23(8-10-24)12-18(26)22-19-21-16-6-5-15(25(27)28)11-17(16)29-19/h1-6,11H,7-10,12H2,(H,21,22,26)