dimethyl(1-phenylheptadecan-2-yl)azanium ethanoate

Systemtic Name: dimethyl(1-phenylheptadecan-2-yl)azanium ethanoate Openeye Name: 1-benzylhexadecyl(dimethyl)ammonium acetate CAS Name: dimethyl(1-phenylheptadecan-2-yl)ammonium acetate IUPAC Name: dimethyl(1-phenylheptadecan-2-yl)azanium acetate Traditional Name: 1-benzylhexadecyl(dimethyl)ammonium acetate Formula: C27H49NO2 MolecularWeight: 419.68346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)C.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)C.CC(=O)[O-]

InChI

InChI=1S/C25H45N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26(2)3)23-24-20-17-16-18-21-24;1-2(3)4/h16-18,20-21,25H,4-15,19,22-23H2,1-3H3;1H3,(H,3,4)