N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-5-morpholin-4-yl-2-nitro-aniline

Systemtic Name: N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-5-morpholin-4-yl-2-nitro-aniline Openeye Name: 5-morpholino-2-nitro-N-[(Z)-quinuclidin-1-ium-3-ylideneamino]aniline CAS Name: N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-5-(4-morpholinyl)-2-nitroaniline IUPAC Name: N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-5-morpholin-4-yl-2-nitroaniline Traditional Name: (5-morpholino-2-nitro-phenyl)-[(Z)-quinuclidin-1-ium-3-ylideneamino]amine Formula: C17H24N5O3+ MolecularWeight: 346.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=NNC3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-])C2

Isomeric SMILES

C1C[NH+]2CCC1/C(=N/NC3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-])/C2

InChI

InChI=1S/C17H23N5O3/c23-22(24)17-2-1-14(21-7-9-25-10-8-21)11-15(17)18-19-16-12-20-5-3-13(16)4-6-20/h1-2,11,13,18H,3-10,12H2/p+1/b19-16+