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

Systemtic Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitro-benzamide Openeye Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitro-benzamide CAS Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitrobenzamide IUPAC Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitrobenzamide Traditional Name: 3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitro-benzamide Formula: C16H22N3O3+ MolecularWeight: 304.36418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-19(13-3-2-4-14(19)7-6-13)10-12-9-11(16(17)20)5-8-15(12)18(21)22/h5,8-9,13-14H,2-4,6-7,10H2,1H3,(H-,17,20)/p+1