dimethyl-bis(3-oxidanylpropyl)azanium; methane; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: dimethyl-bis(3-oxidanylpropyl)azanium; methane; 2,4,6-trinitrobenzenesulfonate Openeye Name: bis(3-hydroxypropyl)-dimethyl-ammonium; methane; 2,4,6-trinitrobenzenesulfonate CAS Name: bis(3-hydroxypropyl)-dimethylammonium; methane; 2,4,6-trinitrobenzenesulfonate IUPAC Name: bis(3-hydroxypropyl)-dimethylazanium; methane; 2,4,6-trinitrobenzenesulfonate Traditional Name: bis(3-hydroxypropyl)-dimethyl-ammonium; methane; 2,4,6-trinitrobesylate Formula: C16H30N4O11S MolecularWeight: 486.4946

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Descriptors Computed from Structure

Canonical SMILES:

C.C.C[N+](C)(CCCO)CCCO.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C.C.C[N+](C)(CCCO)CCCO.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H20NO2.C6H3N3O9S.2CH4/c1-9(2,5-3-7-10)6-4-8-11;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;;/h10-11H,3-8H2,1-2H3;1-2H,(H,16,17,18);2*1H4/q+1;;;/p-1