(4-butyl-2-oxidanylidene-pyrrolidin-1-yl)methyl-dihexadecyl-methyl-azanium

Systemtic Name: (4-butyl-2-oxidanylidene-pyrrolidin-1-yl)methyl-dihexadecyl-methyl-azanium Openeye Name: (4-butyl-2-oxo-pyrrolidin-1-yl)methyl-dihexadecyl-methyl-ammonium CAS Name: (4-butyl-2-oxo-1-pyrrolidinyl)methyl-dihexadecyl-methylammonium IUPAC Name: (4-butyl-2-oxopyrrolidin-1-yl)methyl-dihexadecyl-methylazanium Traditional Name: (4-butyl-2-keto-pyrrolidino)methyl-dicetyl-methyl-ammonium Formula: C42H85N2O+ MolecularWeight: 634.1371

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CN1CC(CC1=O)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CN1CC(CC1=O)CCCC

InChI

InChI=1S/C42H85N2O/c1-5-8-11-13-15-17-19-21-23-25-27-29-31-33-36-44(4,40-43-39-41(35-10-7-3)38-42(43)45)37-34-32-30-28-26-24-22-20-18-16-14-12-9-6-2/h41H,5-40H2,1-4H3/q+1