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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetimidate Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[O-]

Isomeric SMILES

CCC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[O-]

InChI

InChI=1S/C18H23N5O3S/c1-2-17-20-21-18(27-17)19-16(24)11-23-7-5-22(6-8-23)10-13-3-4-14-15(9-13)26-12-25-14/h3-4,9H,2,5-8,10-12H2,1H3,(H,19,21,24)