2-methyl-4-propan-2-yl-pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 2-methyl-4-propan-2-yl-pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 4-isopropyl-2-methyl-pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 2-methyl-4-propan-2-ylpyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 2-methyl-4-propan-2-ylpyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 4-isopropyl-2-methyl-pyridin-1-ium picrate Formula: C15H16N4O7 MolecularWeight: 364.31014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC(=C1)C(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=[NH+]C=CC(=C1)C(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H13N.C6H3N3O7/c1-7(2)9-4-5-10-8(3)6-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,1-3H3;1-2,10H