1-[3-(diethylamino)propyl]-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenol

Systemtic Name: 1-[3-(diethylamino)propyl]-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenol Openeye Name: 1-[3-(diethylamino)propyl]-4-phenyl-piperidine-4-carbaldehyde; picric acid CAS Name: 1-[3-(diethylamino)propyl]-4-phenyl-4-piperidinecarboxaldehyde; 2,4,6-trinitrophenol IUPAC Name: 1-[3-(diethylamino)propyl]-4-phenylpiperidine-4-carbaldehyde; 2,4,6-trinitrophenol Traditional Name: 1-[3-(diethylamino)propyl]-4-phenyl-isonipecotaldehyde; picric acid Formula: C31H36N8O15 MolecularWeight: 760.66214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1CCC(CC1)(C=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCN1CCC(CC1)(C=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H30N2O.2C6H3N3O7/c1-3-20(4-2)13-8-14-21-15-11-19(17-22,12-16-21)18-9-6-5-7-10-18;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-7,9-10,17H,3-4,8,11-16H2,1-2H3;2*1-2,10H