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

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanimidate IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetimidate Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5OS/c26-18(21-20-23-22-19(27-20)16-7-3-1-4-8-16)15-24-11-13-25(14-12-24)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,21,23,26)