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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanimidate Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H21N5O2S/c1-2-15-19-20-17(25-15)18-14(23)12-21-8-10-22(11-9-21)16(24)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,20,23)