1-[(2-nitrophenyl)methyl]-4-octyl-pyridin-1-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-octyl-pyridin-1-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-octyl-pyridin-1-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-octylpyridin-1-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-octylpyridin-1-ium Traditional Name: 1-(2-nitrobenzyl)-4-octyl-pyridin-1-ium Formula: C20H27N2O2+ MolecularWeight: 327.44058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=[N+](C=C1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=[N+](C=C1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H27N2O2/c1-2-3-4-5-6-7-10-18-13-15-21(16-14-18)17-19-11-8-9-12-20(19)22(23)24/h8-9,11-16H,2-7,10,17H2,1H3/q+1