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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanimidate Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanimidate CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethanimidate IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanimidate Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetimidate Formula: C19H18N6O5S MolecularWeight: 442.44842

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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-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O5S/c26-18(21-19-20-16-6-5-15(25(29)30)11-17(16)31-19)12-22-7-9-23(10-8-22)13-1-3-14(4-2-13)24(27)28/h1-6,11H,7-10,12H2,(H,20,21,26)