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

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-(4-o-phenetylpiperazin-1-ium-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=NN=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=NN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-2-29-19-11-7-6-10-18(19)27-14-12-26(13-15-27)16-20(28)23-22-25-24-21(30-22)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,25,28)/p+1