3,6-dimethyl-2-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 3,6-dimethyl-2-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 2-benzyl-3,6-dimethyl-pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 3,6-dimethyl-2-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 2-benzyl-3,6-dimethylpyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 2-benzyl-3,6-dimethyl-pyridin-1-ium picrate Formula: C20H18N4O7 MolecularWeight: 426.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C(C=C1)C)CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C([NH+]=C(C=C1)C)CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N.C6H3N3O7/c1-11-8-9-12(2)15-14(11)10-13-6-4-3-5-7-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-9H,10H2,1-2H3;1-2,10H