N-(4-phenoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-phenoxyphenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-phenoxyphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-phenoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-phenoxyphenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=NC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=NC=CS4

InChI

InChI=1S/C21H22N4O2S/c26-20(16-24-11-13-25(14-12-24)21-22-10-15-28-21)23-17-6-8-19(9-7-17)27-18-4-2-1-3-5-18/h1-10,15H,11-14,16H2,(H,23,26)/p+1