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

Systemtic Name: dimethyl-(2-oxidanylhexadecyl)-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyhexadecyl)-dimethyl-ammonium CAS Name: 2-hydroxyhexadecyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyhexadecyl)-dimethylazanium Traditional Name: benzyl-(2-hydroxyhexadecyl)-dimethyl-ammonium Formula: C25H46NO+ MolecularWeight: 376.63884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46NO/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/h15-17,19-20,25,27H,4-14,18,21-23H2,1-3H3/q+1