[2-(hexacosan-13-ylamino)-2-oxidanylidene-ethyl]-dimethyl-prop-2-enyl-azanium chloride

Systemtic Name: [2-(hexacosan-13-ylamino)-2-oxidanylidene-ethyl]-dimethyl-prop-2-enyl-azanium chloride Openeye Name: allyl-[2-(1-dodecyltetradecylamino)-2-oxo-ethyl]-dimethyl-ammonium chloride CAS Name: [2-(hexacosan-13-ylamino)-2-oxoethyl]-dimethyl-prop-2-enylammonium chloride IUPAC Name: [2-(hexacosan-13-ylamino)-2-oxoethyl]-dimethyl-prop-2-enylazanium chloride Traditional Name: allyl-[2-keto-2-(1-lauryltetradecylamino)ethyl]-dimethyl-ammonium chloride Formula: C33H67ClN2O MolecularWeight: 543.35088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)NC(=O)C[N+](C)(C)CC=C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)NC(=O)C[N+](C)(C)CC=C.[Cl-]

InChI

InChI=1S/C33H66N2O.ClH/c1-6-9-11-13-15-17-19-21-23-25-27-29-32(34-33(36)31-35(4,5)30-8-3)28-26-24-22-20-18-16-14-12-10-7-2;/h8,32H,3,6-7,9-31H2,1-2,4-5H3;1H