1-methoxy-2-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-methoxy-2-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 2-benzyl-1-methoxy-pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-methoxy-2-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 2-benzyl-1-methoxypyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 2-benzyl-1-methoxy-pyridin-1-ium picrate Formula: C19H16N4O8 MolecularWeight: 428.35234

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=CC=CC=C1CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CO[N+]1=CC=CC=C1CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14NO.C6H3N3O7/c1-15-14-10-6-5-9-13(14)11-12-7-3-2-4-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10H,11H2,1H3;1-2,10H/q+1;/p-1