4-(docosanoylamino)butyl-methyl-(6-oxidanylhexyl)-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium

Systemtic Name: 4-(docosanoylamino)butyl-methyl-(6-oxidanylhexyl)-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium Openeye Name: 4-(docosanoylamino)butyl-(6-hydroxyhexyl)-methyl-[(2-oxopyrrolidin-1-yl)methyl]ammonium CAS Name: 6-hydroxyhexyl-methyl-[4-(1-oxodocosylamino)butyl]-[(2-oxo-1-pyrrolidinyl)methyl]ammonium IUPAC Name: 4-(docosanoylamino)butyl-(6-hydroxyhexyl)-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium Traditional Name: 4-(docosanoylamino)butyl-(6-hydroxyhexyl)-[(2-ketopyrrolidino)methyl]-methyl-ammonium Formula: C38H76N3O3+ MolecularWeight: 623.02834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCC[N+](C)(CCCCCCO)CN1CCCC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCC[N+](C)(CCCCCCO)CN1CCCC1=O

InChI

InChI=1S/C38H75N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29-37(43)39-31-24-26-34-41(2,33-25-21-22-27-35-42)36-40-32-28-30-38(40)44/h42H,3-36H2,1-2H3/p+1