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

Systemtic Name: 3-(1,1-dimethylpiperidin-1-ium-2-yl)pyridine; 3-methyl-2,4,6-trinitro-phenolate Openeye Name: 3-(1,1-dimethylpiperidin-1-ium-2-yl)pyridine; 3-methyl-2,4,6-trinitro-phenolate CAS Name: 3-(1,1-dimethyl-2-piperidin-1-iumyl)pyridine; 3-methyl-2,4,6-trinitrophenolate IUPAC Name: 3-(1,1-dimethylpiperidin-1-ium-2-yl)pyridine; 3-methyl-2,4,6-trinitrophenolate Traditional Name: 3-(1,1-dimethylpiperidin-1-ium-2-yl)pyridine; 3-methyl-2,4,6-trinitro-phenolate Formula: C19H23N5O7 MolecularWeight: 433.41522

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(CCCCC1C2=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(CCCCC1C2=CN=CC=C2)C

InChI

InChI=1S/C12H19N2.C7H5N3O7/c1-14(2)9-4-3-7-12(14)11-6-5-8-13-10-11;1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h5-6,8,10,12H,3-4,7,9H2,1-2H3;2,11H,1H3/q+1;/p-1