2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: 2-[2-(2-ethoxyphenyl)thiazol-4-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: 2-[2-(2-ethoxyphenyl)-4-thiazolyl]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-(2-o-phenetylthiazol-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-2-31-23-11-7-6-10-22(23)25-27-20(19-32-25)18-24(30)26-12-13-28-14-16-29(17-15-28)21-8-4-3-5-9-21/h3-11,19H,2,12-18H2,1H3,(H,26,30)/p+1