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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanimidate Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethanimidate IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanimidate Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)CC=CC3=CC=CC=C3)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5OS/c1-2-18-21-22-19(26-18)20-17(25)15-24-13-11-23(12-14-24)10-6-9-16-7-4-3-5-8-16/h3-9H,2,10-15H2,1H3,(H,20,22,25)/b9-6+