N-(5-nitro-1,3-benzothiazol-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanimidate

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanimidate Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-nitro-1,3-benzothiazol-2-yl)ethanimidate CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(5-nitro-1,3-benzothiazol-2-yl)ethanimidate IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-nitro-1,3-benzothiazol-2-yl)ethanimidate Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-nitro-1,3-benzothiazol-2-yl)acetimidate Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4S/c26-18(22-20-21-16-12-15(25(28)29)6-7-17(16)30-20)13-23-8-10-24(11-9-23)19(27)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,22,26)