dodecyl-dimethyl-(phenylmethyl)azanium; 2-oxidanylpropanoate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; 2-oxidanylpropanoate Openeye Name: benzyl-dodecyl-dimethyl-ammonium; 2-hydroxypropanoate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; 2-hydroxypropanoate IUPAC Name: benzyl-dodecyl-dimethylazanium; 2-hydroxypropanoate Traditional Name: benzyl-lauryl-dimethyl-ammonium; lactate Formula: C24H43NO3 MolecularWeight: 393.60312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC(C(=O)[O-])O

InChI

InChI=1S/C21H38N.C3H6O3/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;1-2(4)3(5)6/h13-15,17-18H,4-12,16,19-20H2,1-3H3;2,4H,1H3,(H,5,6)/q+1;/p-1