3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 3-(1-methyl-2-pyrrolidin-1-iumyl)pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium dipicrate Formula: C22H20N8O14 MolecularWeight: 620.4394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1C2=C[NH+]=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCC1C2=C[NH+]=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H14N2.2C6H3N3O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,10H