dimethyl-(2-oxidanylhexadecyl)-(phenylmethyl)azanium benzoate

Systemtic Name: dimethyl-(2-oxidanylhexadecyl)-(phenylmethyl)azanium benzoate Openeye Name: benzyl-(2-hydroxyhexadecyl)-dimethyl-ammonium benzoate CAS Name: 2-hydroxyhexadecyl-dimethyl-(phenylmethyl)ammonium benzoate IUPAC Name: benzyl-(2-hydroxyhexadecyl)-dimethylazanium benzoate Traditional Name: benzyl-(2-hydroxyhexadecyl)-dimethyl-ammonium benzoate Formula: C32H51NO3 MolecularWeight: 497.75224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46NO.C7H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-25(27)23-26(2,3)22-24-19-16-15-17-20-24;8-7(9)6-4-2-1-3-5-6/h15-17,19-20,25,27H,4-14,18,21-23H2,1-3H3;1-5H,(H,8,9)/q+1;/p-1