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

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[4-(3-nitrophenyl)-2-thiazolyl]acetamide IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide Formula: C21H22N5O4S+ MolecularWeight: 440.49548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4O

InChI

InChI=1S/C21H21N5O4S/c27-19-7-2-1-6-18(19)25-10-8-24(9-11-25)13-20(28)23-21-22-17(14-31-21)15-4-3-5-16(12-15)26(29)30/h1-7,12,14,27H,8-11,13H2,(H,22,23,28)/p+1