4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate CAS Name: 4-(1-pyrrolidin-1-iumyl)-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroquinolin-1-ium dipicrate Formula: C25H24N8O14 MolecularWeight: 660.50326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC[NH2+]C3=CC=CC=C23.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

C1CC[NH+](C1)C2CC[NH2+]C3=CC=CC=C23.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/C13H18N2.2C6H3N3O7/c1-2-6-12-11(5-1)13(7-8-14-12)15-9-3-4-10-15;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,5-6,13-14H,3-4,7-10H2;2*1-2,10H