1,1-dimethyl-4-phenyl-piperidin-1-ium-4-ol; 2,4,6-trinitrophenolate

Systemtic Name: 1,1-dimethyl-4-phenyl-piperidin-1-ium-4-ol; 2,4,6-trinitrophenolate Openeye Name: 1,1-dimethyl-4-phenyl-piperidin-1-ium-4-ol; 2,4,6-trinitrophenolate CAS Name: 1,1-dimethyl-4-phenyl-4-piperidin-1-iumol; 2,4,6-trinitrophenolate IUPAC Name: 1,1-dimethyl-4-phenylpiperidin-1-ium-4-ol; 2,4,6-trinitrophenolate Traditional Name: 1,1-dimethyl-4-phenyl-piperidin-1-ium-4-ol picrate Formula: C19H22N4O8 MolecularWeight: 434.39998

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)(C2=CC=CC=C2)O)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCC(CC1)(C2=CC=CC=C2)O)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H20NO.C6H3N3O7/c1-14(2)10-8-13(15,9-11-14)12-6-4-3-5-7-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7,15H,8-11H2,1-2H3;1-2,10H/q+1;/p-1