aluminum; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; 2,4,6-trinitrophenolate

Systemtic Name: aluminum; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; 2,4,6-trinitrophenolate Openeye Name: aluminum; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; 2,4,6-trinitrophenolate CAS Name: aluminum; 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine; 2,4,6-trinitrophenolate IUPAC Name: aluminum; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; 2,4,6-trinitrophenolate Traditional Name: aluminum 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine tripicrate Formula: C48H48AlN15O21 MolecularWeight: 1197.964158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC=C2.CN1CCCC1C2=CN=CC=C2.CN1CCCC1C2=CN=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-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Al+3]

Isomeric SMILES

CN1CCC[C@H]1C2=CN=CC=C2.CN1CCC[C@H]1C2=CN=CC=C2.CN1CCC[C@H]1C2=CN=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-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Al+3]

InChI

InChI=1S/3C10H14N2.3C6H3N3O7.Al/c3*1-12-7-3-5-10(12)9-4-2-6-11-8-9;3*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h3*2,4,6,8,10H,3,5,7H2,1H3;3*1-2,10H;/q;;;;;;+3/p-3/t3*10-;;;;/m000..../s1