13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecan-1-ol chloride

Systemtic Name: 13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecan-1-ol chloride Openeye Name: 13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecan-1-ol chloride CAS Name: 13-[1-(2,4-dinitrophenyl)-3-pyridin-1-iumyl]-1-tridecanol chloride IUPAC Name: 13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecan-1-ol chloride Traditional Name: 13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecan-1-ol chloride Formula: C24H34ClN3O5 MolecularWeight: 479.99686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N3O5.ClH/c28-18-11-9-7-5-3-1-2-4-6-8-10-13-21-14-12-17-25(20-21)23-16-15-22(26(29)30)19-24(23)27(31)32;/h12,14-17,19-20,28H,1-11,13,18H2;1H/q+1;/p-1