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

Systemtic Name: dimethyl(1-phenyltridecan-2-yl)azanium ethanoate Openeye Name: 1-benzyldodecyl(dimethyl)ammonium acetate CAS Name: dimethyl(1-phenyltridecan-2-yl)ammonium acetate IUPAC Name: dimethyl(1-phenyltridecan-2-yl)azanium acetate Traditional Name: 1-benzyldodecyl(dimethyl)ammonium acetate Formula: C23H41NO2 MolecularWeight: 363.57714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N.C2H4O2/c1-4-5-6-7-8-9-10-11-15-18-21(22(2)3)19-20-16-13-12-14-17-20;1-2(3)4/h12-14,16-17,21H,4-11,15,18-19H2,1-3H3;1H3,(H,3,4)