3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine; 3-methyl-2,4,6-trinitro-phenolate

Systemtic Name: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine; 3-methyl-2,4,6-trinitro-phenolate Openeye Name: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine; 3-methyl-2,4,6-trinitro-phenolate CAS Name: 3-(1,1-dimethyl-2-pyrrolidin-1-iumyl)pyridine; 3-methyl-2,4,6-trinitrophenolate IUPAC Name: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine; 3-methyl-2,4,6-trinitrophenolate Traditional Name: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine; 3-methyl-2,4,6-trinitro-phenolate Formula: C18H21N5O7 MolecularWeight: 419.38864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].C[N+]1(CCCC1C2=CN=CC=C2)C

Isomeric SMILES

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].C[N+]1(CCCC1C2=CN=CC=C2)C

InChI

InChI=1S/C11H17N2.C7H5N3O7/c1-13(2)8-4-6-11(13)10-5-3-7-12-9-10;1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h3,5,7,9,11H,4,6,8H2,1-2H3;2,11H,1H3/q+1;/p-1