hexadecyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium

Systemtic Name: hexadecyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium Openeye Name: benzyl-hexadecyl-bis(2-hydroxypropyl)ammonium CAS Name: hexadecyl-bis(2-hydroxypropyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-hexadecyl-bis(2-hydroxypropyl)azanium Traditional Name: benzyl-cetyl-bis(2-hydroxypropyl)ammonium Formula: C29H54NO2+ MolecularWeight: 448.74456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-27(2)31,25-28(3)32)26-29-21-18-17-19-22-29/h17-19,21-22,27-28,31-32H,4-16,20,23-26H2,1-3H3/q+1