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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-octyl-pyridin-1-ium chloride Openeye Name: 1-[(4-nitrophenyl)methyl]-4-octyl-pyridin-1-ium chloride CAS Name: 1-[(4-nitrophenyl)methyl]-4-octylpyridin-1-ium chloride IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-octylpyridin-1-ium chloride Traditional Name: 1-(4-nitrobenzyl)-4-octyl-pyridin-1-ium chloride Formula: C20H27ClN2O2 MolecularWeight: 362.89358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N2O2.ClH/c1-2-3-4-5-6-7-8-18-13-15-21(16-14-18)17-19-9-11-20(12-10-19)22(23)24;/h9-16H,2-8,17H2,1H3;1H/q+1;/p-1