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

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanimidate Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetimidate Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C18H17N5O5S/c24-16(20-18-19-13-4-3-12(23(26)27)10-15(13)29-18)11-21-5-7-22(8-6-21)17(25)14-2-1-9-28-14/h1-4,9-10H,5-8,11H2,(H,19,20,24)