dimethanoyl-octadecyl-(phenylmethyl)azanium

Systemtic Name: dimethanoyl-octadecyl-(phenylmethyl)azanium Openeye Name: benzyl-diformyl-octadecyl-ammonium CAS Name: diformyl-octadecyl-(phenylmethyl)ammonium IUPAC Name: benzyl-diformyl-octadecylazanium Traditional Name: benzyl-diformyl-stearyl-ammonium Formula: C27H46NO2+ MolecularWeight: 416.65964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(25-29,26-30)24-27-21-18-17-19-22-27/h17-19,21-22,25-26H,2-16,20,23-24H2,1H3/q+1