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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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