N-tert-butyl-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C15H25N5O3+2 MolecularWeight: 323.3907

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N5O3/c1-15(2,3)17-13(21)11-18-7-9-19(10-8-18)14-12(20(22)23)5-4-6-16-14/h4-6H,7-11H2,1-3H3,(H,17,21)/p+2