N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperidin-1-yl-aniline

Systemtic Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperidin-1-yl-aniline Openeye Name: 2-nitro-5-(1-piperidyl)-N-[(E)-quinuclidin-1-ium-3-ylideneamino]aniline CAS Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-(1-piperidinyl)aniline IUPAC Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperidin-1-ylaniline Traditional Name: (2-nitro-5-piperidino-phenyl)-[(E)-quinuclidin-1-ium-3-ylideneamino]amine Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NN=C3C[NH+]4CCC3CC4

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N/N=C\3/C[NH+]4CCC3CC4

InChI

InChI=1S/C18H25N5O2/c24-23(25)18-5-4-15(22-8-2-1-3-9-22)12-16(18)19-20-17-13-21-10-6-14(17)7-11-21/h4-5,12,14,19H,1-3,6-11,13H2/p+1/b20-17-