hexadecyl-dimethyl-(phenylmethyl)azanium; 2,3,4,5,6-pentakis(oxidanyl)hexanoate

Systemtic Name: hexadecyl-dimethyl-(phenylmethyl)azanium; 2,3,4,5,6-pentakis(oxidanyl)hexanoate Openeye Name: benzyl-hexadecyl-dimethyl-ammonium; 2,3,4,5,6-pentahydroxyhexanoate CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium; 2,3,4,5,6-pentahydroxyhexanoate IUPAC Name: benzyl-hexadecyl-dimethylazanium; 2,3,4,5,6-pentahydroxyhexanoate Traditional Name: benzyl-cetyl-dimethyl-ammonium; 2,3,4,5,6-pentahydroxyhexanoate Formula: C31H57NO7 MolecularWeight: 555.78678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46N.C6H12O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;7-1-2(8)3(9)4(10)5(11)6(12)13/h17-19,21-22H,4-16,20,23-24H2,1-3H3;2-5,7-11H,1H2,(H,12,13)/q+1;/p-1