trimethyl-[(6E,9E)-octadeca-6,9-dien-4-yl]azanium ethanoate

Systemtic Name: trimethyl-[(6E,9E)-octadeca-6,9-dien-4-yl]azanium ethanoate Openeye Name: trimethyl-[(3E,6E)-1-propylpentadeca-3,6-dienyl]ammonium acetate CAS Name: trimethyl-[(6E,9E)-octadeca-6,9-dien-4-yl]ammonium acetate IUPAC Name: trimethyl-[(6E,9E)-octadeca-6,9-dien-4-yl]azanium acetate Traditional Name: trimethyl-[(3E,6E)-1-propylpentadeca-3,6-dienyl]ammonium acetate Formula: C23H45NO2 MolecularWeight: 367.6089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H42N.C2H4O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-21(19-7-2)22(3,4)5;1-2(3)4/h14-15,17-18,21H,6-13,16,19-20H2,1-5H3;1H3,(H,3,4)/q+1;/p-1/b15-14+,18-17+;