2-ethenylbenzoate; hexadecyl(trimethyl)azanium

Systemtic Name: 2-ethenylbenzoate; hexadecyl(trimethyl)azanium Openeye Name: hexadecyl(trimethyl)ammonium; 2-vinylbenzoate CAS Name: 2-ethenylbenzoate; hexadecyl(trimethyl)ammonium IUPAC Name: 2-ethenylbenzoate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; 2-vinylbenzoate Formula: C28H49NO2 MolecularWeight: 431.69416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.C=CC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.C=CC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C19H42N.C9H8O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-7-5-3-4-6-8(7)9(10)11/h5-19H2,1-4H3;2-6H,1H2,(H,10,11)/q+1;/p-1