2-(carboxymethyloxy)ethanoic acid; dodecyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 2-(carboxymethyloxy)ethanoic acid; dodecyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-dodecyl-dimethyl-ammonium; 2-(carboxymethyloxy)acetic acid CAS Name: 2-(carboxymethyloxy)acetic acid; dodecyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-dodecyl-dimethylazanium; 2-(carboxymethyloxy)acetic acid Traditional Name: benzyl-lauryl-dimethyl-ammonium; 2-(carboxymethyloxy)acetic acid Formula: C25H44NO5+ MolecularWeight: 438.62056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.C4H6O5/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;5-3(6)1-9-2-4(7)8/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/q+1;