1-phenyl-N-(piperidin-1-ium-1-ylidenemethyl)methanamine; 2,4,6-trinitrophenolate

Systemtic Name: 1-phenyl-N-(piperidin-1-ium-1-ylidenemethyl)methanamine; 2,4,6-trinitrophenolate Openeye Name: 1-phenyl-N-(piperidin-1-ium-1-ylidenemethyl)methanamine; 2,4,6-trinitrophenolate CAS Name: 1-phenyl-N-(1-piperidin-1-iumylidenemethyl)methanamine; 2,4,6-trinitrophenolate IUPAC Name: 1-phenyl-N-(piperidin-1-ium-1-ylidenemethyl)methanamine; 2,4,6-trinitrophenolate Traditional Name: benzyl(piperidin-1-ium-1-ylidenemethyl)amine picrate Formula: C19H21N5O7 MolecularWeight: 431.39934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=CNCC2=CC=CC=C2)CC1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[N+](=CNCC2=CC=CC=C2)CC1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N2.C6H3N3O7/c1-3-7-13(8-4-1)11-14-12-15-9-5-2-6-10-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,3-4,7-8,12H,2,5-6,9-11H2;1-2,10H