2-[3-(1H-imidazol-5-yl)propoxy]ethyl-trimethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: 2-[3-(1H-imidazol-5-yl)propoxy]ethyl-trimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: 2-[3-(1H-imidazol-5-yl)propoxy]ethyl-trimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: 2-[3-(1H-imidazol-5-yl)propoxy]ethyl-trimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: 2-[3-(1H-imidazol-5-yl)propoxy]ethyl-trimethylazanium; 2,4,6-trinitrophenolate Traditional Name: 2-[3-(1H-imidazol-5-yl)propoxy]ethyl-trimethyl-ammonium dipicrate Formula: C23H26N9O15- MolecularWeight: 668.50384

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOCCCC1=CN=CN1.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

C[N+](C)(C)CCOCCCC1=CN=CN1.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/C11H22N3O.2C6H3N3O7/c1-14(2,3)6-8-15-7-4-5-11-9-12-10-13-11;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-10H,4-8H2,1-3H3,(H,12,13);2*1-2,10H/q+1;;/p-2