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

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

Systemtic Name:dimethyl(1-phenylheptadecan-2-yl)azanium chloride ethanoate
Openeye Name:1-benzylhexadecyl(dimethyl)ammonium acetate chloride
CAS Name:dimethyl(1-phenylheptadecan-2-yl)ammonium acetate chloride
IUPAC Name:dimethyl(1-phenylheptadecan-2-yl)azanium acetate chloride
Traditional Name:1-benzylhexadecyl(dimethyl)ammonium acetate chloride
Formula: C27H49ClNO2-
MolecularWeight: 455.13646
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H45N.C2H4O2.ClH/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);1H/p-1


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