N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanimidate IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetimidate Formula: C18H25N7OS MolecularWeight: 387.5024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(S2)N=C(C[NH+]3CCN(CC3)C4=NC=CC=N4)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN=C(S2)N=C(C[NH+]3CCN(CC3)C4=NC=CC=N4)[O-]

InChI

InChI=1S/C18H25N7OS/c26-15(21-18-23-22-16(27-18)14-5-2-1-3-6-14)13-24-9-11-25(12-10-24)17-19-7-4-8-20-17/h4,7-8,14H,1-3,5-6,9-13H2,(H,21,23,26)