1-phenyl-N,N-bis(phenylmethyl)-3-pyrrolidin-1-yl-propan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: 1-phenyl-N,N-bis(phenylmethyl)-3-pyrrolidin-1-yl-propan-1-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dibenzyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-amine; picric acid CAS Name: 1-phenyl-N,N-bis(phenylmethyl)-3-(1-pyrrolidinyl)-1-propanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibenzyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine; 2,4,6-trinitrophenol Traditional Name: dibenzyl-(1-phenyl-3-pyrrolidino-propyl)amine; picric acid Formula: C39H38N8O14 MolecularWeight: 842.76422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(C2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4.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

C1CCN(C1)CCC(C2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4.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/C27H32N2.2C6H3N3O7/c1-4-12-24(13-5-1)22-29(23-25-14-6-2-7-15-25)27(26-16-8-3-9-17-26)18-21-28-19-10-11-20-28;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9,12-17,27H,10-11,18-23H2;2*1-2,10H