1-(2,4-dinitrophenyl)-3-(10-phenylmethoxydecyl)pyridin-1-ium chloride

Systemtic Name: 1-(2,4-dinitrophenyl)-3-(10-phenylmethoxydecyl)pyridin-1-ium chloride Openeye Name: 3-(10-benzyloxydecyl)-1-(2,4-dinitrophenyl)pyridin-1-ium chloride CAS Name: 1-(2,4-dinitrophenyl)-3-(10-phenylmethoxydecyl)pyridin-1-ium chloride IUPAC Name: 1-(2,4-dinitrophenyl)-3-(10-phenylmethoxydecyl)pyridin-1-ium chloride Traditional Name: 3-(10-benzoxydecyl)-1-(2,4-dinitrophenyl)pyridin-1-ium chloride Formula: C28H34ClN3O5 MolecularWeight: 528.03966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCCCCCCC2=C[N+](=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCCCCCC2=C[N+](=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C28H34N3O5.ClH/c32-30(33)26-17-18-27(28(21-26)31(34)35)29-19-12-16-24(22-29)13-8-5-3-1-2-4-6-11-20-36-23-25-14-9-7-10-15-25;/h7,9-10,12,14-19,21-22H,1-6,8,11,13,20,23H2;1H/q+1;/p-1