N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-chloranyl-2-nitro-benzamide

Systemtic Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-chloranyl-2-nitro-benzamide Openeye Name: 5-chloro-2-nitro-N-[(3R)-quinuclidin-1-ium-3-yl]benzamide CAS Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-chloro-2-nitrobenzamide IUPAC Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-chloro-2-nitrobenzamide Traditional Name: 5-chloro-2-nitro-N-[(3R)-quinuclidin-1-ium-3-yl]benzamide Formula: C14H17ClN3O3+ MolecularWeight: 310.75608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN3O3/c15-10-1-2-13(18(20)21)11(7-10)14(19)16-12-8-17-5-3-9(12)4-6-17/h1-2,7,9,12H,3-6,8H2,(H,16,19)/p+1/t12-/m0/s1