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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanimidate Openeye Name: 2-(4-benzylpiperazin-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-(phenylmethyl)-1-piperazin-1-iumyl]ethanimidate IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5OS/c1-2-16-19-20-17(24-16)18-15(23)13-22-10-8-21(9-11-22)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,18,20,23)