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

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[4-(3-nitrophenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide Formula: C17H20N5O4S+ MolecularWeight: 390.4368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4S/c1-12(23)21-7-5-20(6-8-21)10-16(24)19-17-18-15(11-27-17)13-3-2-4-14(9-13)22(25)26/h2-4,9,11H,5-8,10H2,1H3,(H,18,19,24)/p+1