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

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanimidate Openeye Name: 2-(4-benzylsulfonylpiperazin-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-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethanimidate IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S2/c1-13-18-19-16(25-13)17-15(22)11-20-7-9-21(10-8-20)26(23,24)12-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,17,19,22)