2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(5-benzylthiazol-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[5-(phenylmethyl)-2-thiazolyl]acetamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-benzylthiazol-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H24N4O2S/c27-19-8-6-18(7-9-19)26-12-10-25(11-13-26)16-21(28)24-22-23-15-20(29-22)14-17-4-2-1-3-5-17/h1-9,15,27H,10-14,16H2,(H,23,24,28)/p+1