2-(16-methylheptadecanoylamino)ethyl-[3-(16-methylheptadecanoylamino)propyl]-(2-oxidanylpropyl)-(phenylmethyl)azanium

Systemtic Name: 2-(16-methylheptadecanoylamino)ethyl-[3-(16-methylheptadecanoylamino)propyl]-(2-oxidanylpropyl)-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxypropyl)-[2-(16-methylheptadecanoylamino)ethyl]-[3-(16-methylheptadecanoylamino)propyl]ammonium CAS Name: 2-hydroxypropyl-[2-[(16-methyl-1-oxoheptadecyl)amino]ethyl]-[3-[(16-methyl-1-oxoheptadecyl)amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxypropyl)-[2-(16-methylheptadecanoylamino)ethyl]-[3-(16-methylheptadecanoylamino)propyl]azanium Traditional Name: benzyl-(2-hydroxypropyl)-[2-(16-methylheptadecanoylamino)ethyl]-[3-(16-methylheptadecanoylamino)propyl]ammonium Formula: C51H96N3O3+ MolecularWeight: 799.32624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](CCNC(=O)CCCCCCCCCCCCCCC(C)C)(CC1=CC=CC=C1)CC(C)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](CCNC(=O)CCCCCCCCCCCCCCC(C)C)(CC1=CC=CC=C1)CC(C)O

InChI

InChI=1S/C51H95N3O3/c1-46(2)34-27-22-18-14-10-6-8-12-16-20-24-31-38-50(56)52-40-33-42-54(44-48(5)55,45-49-36-29-26-30-37-49)43-41-53-51(57)39-32-25-21-17-13-9-7-11-15-19-23-28-35-47(3)4/h26,29-30,36-37,46-48,55H,6-25,27-28,31-35,38-45H2,1-5H3,(H-,52,53,56,57)/p+1