dimethyl(1-phenylheptadecan-2-yl)azanium; dodecanoate

Systemtic Name: dimethyl(1-phenylheptadecan-2-yl)azanium; dodecanoate Openeye Name: 1-benzylhexadecyl(dimethyl)ammonium; dodecanoate CAS Name: dimethyl(1-phenylheptadecan-2-yl)ammonium; dodecanoate IUPAC Name: dimethyl(1-phenylheptadecan-2-yl)azanium; dodecanoate Traditional Name: 1-benzylhexadecyl(dimethyl)ammonium; laurate Formula: C37H69NO2 MolecularWeight: 559.94926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45N.C12H24O2/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;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h16-18,20-21,25H,4-15,19,22-23H2,1-3H3;2-11H2,1H3,(H,13,14)