N-(2-methylbutan-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylbutan-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,1-dimethylpropyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylbutan-2-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylbutan-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-amyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H27N4O3+ MolecularWeight: 335.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O3/c1-4-17(2,3)18-16(22)13-19-9-11-20(12-10-19)14-5-7-15(8-6-14)21(23)24/h5-8H,4,9-13H2,1-3H3,(H,18,22)/p+1