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

Systemtic Name: N-(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethanimidate IUPAC Name: N-(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)CC=CC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H23N5OS/c1-15-20-21-18(25-15)19-17(24)14-23-12-10-22(11-13-23)9-5-8-16-6-3-2-4-7-16/h2-8H,9-14H2,1H3,(H,19,21,24)/b8-5+