3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitro-benzenecarbonitrile

Systemtic Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitro-benzenecarbonitrile Openeye Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitro-benzonitrile CAS Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitrobenzonitrile IUPAC Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitrobenzonitrile Traditional Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitro-benzonitrile Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1CC2)CC3=C(C=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C[N+]1(C2CCCC1CC2)CC3=C(C=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N3O2/c1-19(14-3-2-4-15(19)7-6-14)11-13-9-12(10-17)5-8-16(13)18(20)21/h5,8-9,14-15H,2-4,6-7,11H2,1H3/q+1