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

Systemtic Name: octadecyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium Openeye Name: benzyl-bis(2-hydroxypropyl)-octadecyl-ammonium CAS Name: bis(2-hydroxypropyl)-octadecyl-(phenylmethyl)ammonium IUPAC Name: benzyl-bis(2-hydroxypropyl)-octadecylazanium Traditional Name: benzyl-bis(2-hydroxypropyl)-stearyl-ammonium Formula: C31H58NO2+ MolecularWeight: 476.79772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H58NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31/h19-21,23-24,29-30,33-34H,4-18,22,25-28H2,1-3H3/q+1