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

Systemtic Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-o-phenetylpiperazin-1-ium-1-yl)-N-piazthiol-5-yl-acetamide Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC4=NSN=C4C=C3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C20H23N5O2S/c1-2-27-19-6-4-3-5-18(19)25-11-9-24(10-12-25)14-20(26)21-15-7-8-16-17(13-15)23-28-22-16/h3-8,13H,2,9-12,14H2,1H3,(H,21,26)/p+1