3-[(1R,5R)-1,5-dinitro-6-piperidin-1-ylcarbonyl-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate

Systemtic Name: 3-[(1R,5R)-1,5-dinitro-6-piperidin-1-ylcarbonyl-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate Openeye Name: 3-[(1R,5R)-1,5-dinitro-6-(piperidine-1-carbonyl)-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate CAS Name: 3-[(1R,5R)-1,5-dinitro-6-[oxo(1-piperidinyl)methyl]-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate IUPAC Name: 3-[(1R,5R)-1,5-dinitro-6-(piperidine-1-carbonyl)-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate Traditional Name: 3-[(1R,5R)-1,5-dinitro-6-(piperidine-1-carbonyl)-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propionate Formula: C17H24N4O7 MolecularWeight: 396.39506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CCC3(CC2(C[NH+](C3)CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC[C@]3(C[C@@]2(C[NH+](C3)CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O7/c22-14(23)5-9-18-11-16(20(25)26)6-4-13(17(10-16,12-18)21(27)28)15(24)19-7-2-1-3-8-19/h4H,1-3,5-12H2,(H,22,23)/t16-,17+/m1/s1