dimethyl(octadecyl)azanium; 2-ethylbutanedioic acid; dichloride

Systemtic Name: dimethyl(octadecyl)azanium; 2-ethylbutanedioic acid; dichloride Openeye Name: dimethyl(octadecyl)ammonium; 2-ethylbutanedioic acid; dichloride CAS Name: dimethyl(octadecyl)ammonium; 2-ethylbutanedioic acid; dichloride IUPAC Name: dimethyl(octadecyl)azanium; 2-ethylbutanedioic acid; dichloride Traditional Name: dimethyl(stearyl)ammonium; 2-ethylsuccinic acid; dichloride Formula: C46H98Cl2N2O4 MolecularWeight: 814.18732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCCCC[NH+](C)C.CCC(CC(=O)O)C(=O)O.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCCCC[NH+](C)C.CCC(CC(=O)O)C(=O)O.[Cl-].[Cl-]

InChI

InChI=1S/2C20H43N.C6H10O4.2ClH/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-4(6(9)10)3-5(7)8;;/h2*4-20H2,1-3H3;4H,2-3H2,1H3,(H,7,8)(H,9,10);2*1H