3-azaniumylpropyl-[(Z)-octadec-9-enyl]azanium; 2-oxidanylethanoate

Systemtic Name: 3-azaniumylpropyl-[(Z)-octadec-9-enyl]azanium; 2-oxidanylethanoate Openeye Name: 3-azaniumylpropyl-[(Z)-octadec-9-enyl]ammonium; 2-hydroxyacetate CAS Name: 3-ammoniopropyl-[(Z)-octadec-9-enyl]ammonium; 2-hydroxyacetate IUPAC Name: 3-azaniumylpropyl-[(Z)-octadec-9-enyl]azanium; 2-hydroxyacetate Traditional Name: 3-ammoniopropyl-[(Z)-octadec-9-enyl]ammonium; glycolate Formula: C25H52N2O6 MolecularWeight: 476.69018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[NH2+]CCC[NH3+].C(C(=O)[O-])O.C(C(=O)[O-])O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC[NH2+]CCC[NH3+].C(C(=O)[O-])O.C(C(=O)[O-])O

InChI

InChI=1S/C21H44N2.2C2H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*3-1-2(4)5/h9-10,23H,2-8,11-22H2,1H3;2*3H,1H2,(H,4,5)/b10-9-;;