dimethyl-[1-(octadecanoylamino)propyl]-(phenylmethyl)azanium

Systemtic Name: dimethyl-[1-(octadecanoylamino)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-[1-(octadecanoylamino)propyl]ammonium CAS Name: dimethyl-[1-(1-oxooctadecylamino)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-[1-(octadecanoylamino)propyl]azanium Traditional Name: benzyl-dimethyl-(1-stearamidopropyl)ammonium Formula: C30H55N2O+ MolecularWeight: 459.7705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(33)31-29(6-2)32(3,4)27-28-24-21-20-22-25-28/h20-22,24-25,29H,5-19,23,26-27H2,1-4H3/p+1