[[(E)-docos-13-enoyl]amino]-dimethyl-propyl-azanium ethanoate

Systemtic Name: [[(E)-docos-13-enoyl]amino]-dimethyl-propyl-azanium ethanoate Openeye Name: [[(E)-docos-13-enoyl]amino]-dimethyl-propyl-ammonium acetate CAS Name: dimethyl-[[(E)-1-oxodocos-13-enyl]amino]-propylammonium acetate IUPAC Name: [[(E)-docos-13-enoyl]amino]-dimethyl-propylazanium acetate Traditional Name: [[(E)-docos-13-enoyl]amino]-dimethyl-propyl-ammonium acetate Formula: C29H58N2O3 MolecularWeight: 482.78242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)N[N+](C)(C)CCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)N[N+](C)(C)CCC.CC(=O)[O-]

InChI

InChI=1S/C27H54N2O.C2H4O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(30)28-29(3,4)26-6-2;1-2(3)4/h13-14H,5-12,15-26H2,1-4H3;1H3,(H,3,4)/b14-13+;