1-[2-(dipropylamino)ethanoyl]-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenolate

Systemtic Name: 1-[2-(dipropylamino)ethanoyl]-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenolate Openeye Name: 1-[2-(dipropylamino)acetyl]-4-phenyl-piperidine-4-carbaldehyde; 2,4,6-trinitrophenolate CAS Name: 1-[2-(dipropylamino)-1-oxoethyl]-4-phenyl-4-piperidinecarboxaldehyde; 2,4,6-trinitrophenolate IUPAC Name: 1-[2-(dipropylamino)acetyl]-4-phenylpiperidine-4-carbaldehyde; 2,4,6-trinitrophenolate Traditional Name: 1-[2-(dipropylamino)acetyl]-4-phenyl-isonipecotaldehyde picrate Formula: C26H32N5O9- MolecularWeight: 558.56038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC(=O)N1CCC(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

CCCN(CCC)CC(=O)N1CCC(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/C20H30N2O2.C6H3N3O7/c1-3-12-21(13-4-2)16-19(24)22-14-10-20(17-23,11-15-22)18-8-6-5-7-9-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-9,17H,3-4,10-16H2,1-2H3;1-2,10H/p-1