2,4,6-trimethylquinolizin-5-ium; 2,4,6-trinitrophenolate

Systemtic Name: 2,4,6-trimethylquinolizin-5-ium; 2,4,6-trinitrophenolate Openeye Name: 2,4,6-trimethylquinolizin-5-ium; 2,4,6-trinitrophenolate CAS Name: 2,4,6-trimethylquinolizin-5-ium; 2,4,6-trinitrophenolate IUPAC Name: 2,4,6-trimethylquinolizin-5-ium; 2,4,6-trinitrophenolate Traditional Name: 2,4,6-trimethylquinolizin-5-ium picrate Formula: C18H16N4O7 MolecularWeight: 400.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=[N+]1C(=CC(=C2)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=[N+]1C(=CC(=C2)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N.C6H3N3O7/c1-9-7-11(3)13-10(2)5-4-6-12(13)8-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,1-3H3;1-2,10H/q+1;/p-1