1-[(4-nitrophenyl)methyl]-1-oxidanidyl-piperidin-1-ium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H16N2O3/c15-13(16)12-6-4-11(5-7-12)10-14(17)8-2-1-3-9-14/h4-7H,1-3,8-10H2