dimethyl-[3-(12-oxidanyloctadecanoylamino)propyl]-(phenylmethyl)azanium

Systemtic Name: dimethyl-[3-(12-oxidanyloctadecanoylamino)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[3-(12-hydroxyoctadecanoylamino)propyl]-dimethyl-ammonium CAS Name: 3-[(12-hydroxy-1-oxooctadecyl)amino]propyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(12-hydroxyoctadecanoylamino)propyl]-dimethylazanium Traditional Name: benzyl-[3-(12-hydroxyoctadecanoylamino)propyl]-dimethyl-ammonium Formula: C30H55N2O2+ MolecularWeight: 475.7699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1)O

InChI

InChI=1S/C30H54N2O2/c1-4-5-6-16-22-29(33)23-17-11-9-7-8-10-12-18-24-30(34)31-25-19-26-32(2,3)27-28-20-14-13-15-21-28/h13-15,20-21,29,33H,4-12,16-19,22-27H2,1-3H3/p+1