2,3-bis(oxidanyl)propyl-octyl-(phenylmethyl)azanium; 2-oxidanylpropanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl-octyl-(phenylmethyl)azanium; 2-oxidanylpropanoate Openeye Name: benzyl-(2,3-dihydroxypropyl)-octyl-ammonium; 2-hydroxypropanoate CAS Name: 2,3-dihydroxypropyl-octyl-(phenylmethyl)ammonium; 2-hydroxypropanoate IUPAC Name: benzyl-(2,3-dihydroxypropyl)-octylazanium; 2-hydroxypropanoate Traditional Name: benzyl-glyceryl-octyl-ammonium; lactate Formula: C21H37NO5 MolecularWeight: 383.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH+](CC1=CC=CC=C1)CC(CO)O.CC(C(=O)[O-])O

Isomeric SMILES

CCCCCCCC[NH+](CC1=CC=CC=C1)CC(CO)O.CC(C(=O)[O-])O

InChI

InChI=1S/C18H31NO2.C3H6O3/c1-2-3-4-5-6-10-13-19(15-18(21)16-20)14-17-11-8-7-9-12-17;1-2(4)3(5)6/h7-9,11-12,18,20-21H,2-6,10,13-16H2,1H3;2,4H,1H3,(H,5,6)