N-(2-methyl-6-nitro-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H20N5O3S+ MolecularWeight: 362.4267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C16H19N5O3S/c1-12-3-2-4-13(21(23)24)15(12)18-14(22)11-19-6-8-20(9-7-19)16-17-5-10-25-16/h2-5,10H,6-9,11H2,1H3,(H,18,22)/p+1