2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[[(3R)-quinuclidin-1-ium-3-yl]amino]benzonitrile CAS Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[[(3R)-quinuclidin-1-ium-3-yl]amino]benzonitrile Formula: C14H17N4O2+ MolecularWeight: 273.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H16N4O2/c15-8-11-7-12(18(19)20)1-2-13(11)16-14-9-17-5-3-10(14)4-6-17/h1-2,7,10,14,16H,3-6,9H2/p+1/t14-/m0/s1