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

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=NC3=NN=C(S3)C4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=NC3=NN=C(S3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H23N5O2S/c1-28-18-9-5-8-17(14-18)26-12-10-25(11-13-26)15-19(27)22-21-24-23-20(29-21)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,22,24,27)