N-tert-butyl-2-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3/c1-16(2,3)17-14(21)12-18-7-9-19(10-8-18)15(22)13-5-4-6-20(23)11-13/h4-6,11H,7-10,12H2,1-3H3,(H,17,21)/p+1