methyl(dioctadecyl)azanium; 5-sulfonato-2-(trimethylazaniumyl)pentanoate

Systemtic Name: methyl(dioctadecyl)azanium; 5-sulfonato-2-(trimethylazaniumyl)pentanoate Openeye Name: methyl(dioctadecyl)ammonium; 5-sulfonato-2-(trimethylammonio)pentanoate CAS Name: methyl(dioctadecyl)ammonium; 5-sulfonato-2-(trimethylammonio)pentanoate IUPAC Name: methyl(dioctadecyl)azanium; 5-sulfonato-2-(trimethylazaniumyl)pentanoate Traditional Name: methyl(distearyl)ammonium; 5-sulfonato-2-(trimethylammonio)valerate Formula: C45H94N2O5S MolecularWeight: 775.30326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCCCCCC.C[N+](C)(C)C(CCCS(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCCCCCC.C[N+](C)(C)C(CCCS(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C37H77N.C8H17NO5S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-9(2,3)7(8(10)11)5-4-6-15(12,13)14/h4-37H2,1-3H3;7H,4-6H2,1-3H3,(H-,10,11,12,13,14)