(10-methyl-10-tetradecyl-tetracosan-9-yl)azanium; undecanoate

Systemtic Name: (10-methyl-10-tetradecyl-tetracosan-9-yl)azanium; undecanoate Openeye Name: (2-methyl-1-octyl-2-tetradecyl-hexadecyl)ammonium; undecanoate CAS Name: (10-methyl-10-tetradecyltetracosan-9-yl)ammonium; undecanoate IUPAC Name: (10-methyl-10-tetradecyltetracosan-9-yl)azanium; undecanoate Traditional Name: (2-methyl-2-myristyl-1-octyl-hexadecyl)ammonium; undecanoate Formula: C50H103NO2 MolecularWeight: 750.35832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCC)C(CCCCCCCC)[NH3+].CCCCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCC)C(CCCCCCCC)[NH3+].CCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C39H81N.C11H22O2/c1-5-8-11-14-17-19-21-23-25-27-30-33-36-39(4,38(40)35-32-29-16-13-10-7-3)37-34-31-28-26-24-22-20-18-15-12-9-6-2;1-2-3-4-5-6-7-8-9-10-11(12)13/h38H,5-37,40H2,1-4H3;2-10H2,1H3,(H,12,13)