2-methyl-1-(4-nitrophenyl)-1-oxidanidyl-piperidin-1-ium

Systemtic Name: 2-methyl-1-(4-nitrophenyl)-1-oxidanidyl-piperidin-1-ium Openeye Name: 2-methyl-1-(4-nitrophenyl)-1-oxido-piperidin-1-ium CAS Name: 2-methyl-1-(4-nitrophenyl)-1-oxidopiperidin-1-ium IUPAC Name: 2-methyl-1-(4-nitrophenyl)-1-oxidopiperidin-1-ium Traditional Name: 2-methyl-1-(4-nitrophenyl)-1-oxido-piperidin-1-ium Formula: C12H16N2O3 MolecularWeight: 236.26704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1(C2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1CCCC[N+]1(C2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H16N2O3/c1-10-4-2-3-9-14(10,17)12-7-5-11(6-8-12)13(15)16/h5-8,10H,2-4,9H2,1H3