N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: 2-nitro-5-piperazin-4-ium-1-yl-N-[(E)-quinuclidin-1-ium-3-ylideneamino]aniline CAS Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: (2-nitro-5-piperazin-4-ium-1-yl-phenyl)-[(E)-quinuclidin-1-ium-3-ylideneamino]amine Formula: C17H26N6O2+2 MolecularWeight: 346.42734

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=NNC3=C(C=CC(=C3)N4CC[NH2+]CC4)[N+](=O)[O-])C2

Isomeric SMILES

C1C[NH+]2CCC1/C(=N\NC3=C(C=CC(=C3)N4CC[NH2+]CC4)[N+](=O)[O-])/C2

InChI

InChI=1S/C17H24N6O2/c24-23(25)17-2-1-14(22-9-5-18-6-10-22)11-15(17)19-20-16-12-21-7-3-13(16)4-8-21/h1-2,11,13,18-19H,3-10,12H2/p+2/b20-16-