N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-(4-methylsulfonyl-1-piperazin-1-iumyl)ethanimidate IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-(4-mesylpiperazin-1-ium-1-yl)acetimidate Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)N=C(C[NH+]3CCN(CC3)S(=O)(=O)C)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)N=C(C[NH+]3CCN(CC3)S(=O)(=O)C)[O-])C

InChI

InChI=1S/C18H24N4O3S2/c1-13-4-5-15(10-14(13)2)16-12-26-18(19-16)20-17(23)11-21-6-8-22(9-7-21)27(3,24)25/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,20,23)