1-methyl-3-phenyl-quinolin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-methyl-3-phenyl-quinolin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-methyl-3-phenyl-quinolin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-methyl-3-phenylquinolin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-methyl-3-phenylquinolin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-methyl-3-phenyl-quinolin-1-ium picrate Formula: C22H16N4O7 MolecularWeight: 448.38504

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC2=CC=CC=C21)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC(=CC2=CC=CC=C21)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N.C6H3N3O7/c1-17-12-15(13-7-3-2-4-8-13)11-14-9-5-6-10-16(14)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-12H,1H3;1-2,10H/q+1;/p-1