3-(benzimidazol-1-ylmethoxy)propylazanium; 2,4,6-trinitrophenolate

Systemtic Name: 3-(benzimidazol-1-ylmethoxy)propylazanium; 2,4,6-trinitrophenolate Openeye Name: 3-(benzimidazol-1-ylmethoxy)propylammonium; 2,4,6-trinitrophenolate CAS Name: 3-(1-benzimidazolylmethoxy)propylammonium; 2,4,6-trinitrophenolate IUPAC Name: 3-(benzimidazol-1-ylmethoxy)propylazanium; 2,4,6-trinitrophenolate Traditional Name: 3-(benzimidazol-1-ylmethoxy)propylammonium picrate Formula: C17H18N6O8 MolecularWeight: 434.36022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2COCCC[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2COCCC[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O.C6H3N3O7/c12-6-3-7-15-9-14-8-13-10-4-1-2-5-11(10)14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,4-5,8H,3,6-7,9,12H2;1-2,10H