1-methyl-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenolate

Systemtic Name: 1-methyl-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenolate Openeye Name: 1-methyl-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenolate CAS Name: 1-methyl-4-phenyl-4-piperidinecarboxaldehyde; 2,4,6-trinitrophenolate IUPAC Name: 1-methyl-4-phenylpiperidine-4-carbaldehyde; 2,4,6-trinitrophenolate Traditional Name: 1-methyl-4-phenyl-isonipecotaldehyde picrate Formula: C19H19N4O8- MolecularWeight: 431.37616

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)(C=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17NO.C6H3N3O7/c1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6,11H,7-10H2,1H3;1-2,10H/p-1