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

Systemtic Name: 3-methyl-4-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 4-benzyl-3-methyl-pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 3-methyl-4-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 4-benzyl-3-methylpyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 4-benzyl-3-methyl-pyridin-1-ium picrate Formula: C19H16N4O7 MolecularWeight: 412.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N.C6H3N3O7/c1-11-10-14-8-7-13(11)9-12-5-3-2-4-6-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8,10H,9H2,1H3;1-2,10H