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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanimidate Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanimidate CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]-1-piperazin-1-iumyl]ethanimidate IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanimidate Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-m-anisylpiperazin-1-ium-1-yl)acetimidate Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-3-17-20-21-18(26-17)19-16(24)13-23-9-7-22(8-10-23)12-14-5-4-6-15(11-14)25-2/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,19,21,24)