6-azaniumylhexyl-bis(5-methylnonan-5-yl)azanium sulfate

Systemtic Name: 6-azaniumylhexyl-bis(5-methylnonan-5-yl)azanium sulfate Openeye Name: 6-azaniumylhexyl-bis(1-butyl-1-methyl-pentyl)ammonium sulfate CAS Name: 6-ammoniohexyl-bis(5-methylnonan-5-yl)ammonium sulfate IUPAC Name: 6-azaniumylhexyl-bis(5-methylnonan-5-yl)azanium sulfate Traditional Name: 6-ammoniohexyl-bis(1-butyl-1-methyl-pentyl)ammonium sulfate Formula: C26H58N2O4S MolecularWeight: 494.81472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CCCC)[NH+](CCCCCC[NH3+])C(C)(CCCC)CCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(C)(CCCC)[NH+](CCCCCC[NH3+])C(C)(CCCC)CCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C26H56N2.H2O4S/c1-7-11-19-25(5,20-12-8-2)28(24-18-16-15-17-23-27)26(6,21-13-9-3)22-14-10-4;1-5(2,3)4/h7-24,27H2,1-6H3;(H2,1,2,3,4)