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carbamimidoyl(dioctadecyl)azanium ethanoate

carbamimidoyl(dioctadecyl)azanium ethanoate

Systemtic Name:carbamimidoyl(dioctadecyl)azanium ethanoate
Openeye Name:carbamimidoyl(dioctadecyl)ammonium acetate
CAS Name:carbamimidoyl(dioctadecyl)ammonium acetate
IUPAC Name:carbamimidoyl(dioctadecyl)azanium acetate
Traditional Name:amidino(distearyl)ammonium acetate
Formula: C39H81N3O2
MolecularWeight: 624.07934
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)C(=N)N.CC(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)C(=N)N.CC(=O)[O-]


InChI

InChI=1S/C37H77N3.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(37(38)39)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-36H2,1-2H3,(H3,38,39);1H3,(H,3,4)


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