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

Systemtic Name: 1-methyl-2-propan-2-yl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 2-isopropyl-1-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-methyl-2-propan-2-yl-4-(1-pyrrolidin-1-iumyl)-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-methyl-2-propan-2-yl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 2-isopropyl-1-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroquinolin-1-ium dipicrate Formula: C29H32N8O14 MolecularWeight: 716.60958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(C2=CC=CC=C2[NH+]1C)[NH+]3CCCC3.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

CC(C)C1CC(C2=CC=CC=C2[NH+]1C)[NH+]3CCCC3.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/C17H26N2.2C6H3N3O7/c1-13(2)16-12-17(19-10-6-7-11-19)14-8-4-5-9-15(14)18(16)3;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,8-9,13,16-17H,6-7,10-12H2,1-3H3;2*1-2,10H