methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-phenyl-[4-(tetradecanoylamino)butyl]azanium chloride

Systemtic Name: methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-phenyl-[4-(tetradecanoylamino)butyl]azanium chloride Openeye Name: methyl-[(2-oxopyrrolidin-1-yl)methyl]-phenyl-[4-(tetradecanoylamino)butyl]ammonium chloride CAS Name: methyl-[(2-oxo-1-pyrrolidinyl)methyl]-[4-(1-oxotetradecylamino)butyl]-phenylammonium chloride IUPAC Name: methyl-[(2-oxopyrrolidin-1-yl)methyl]-phenyl-[4-(tetradecanoylamino)butyl]azanium chloride Traditional Name: (2-ketopyrrolidino)methyl-methyl-phenyl-[4-(tetradecanoylamino)butyl]ammonium chloride Formula: C30H52ClN3O2 MolecularWeight: 522.20578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NCCCC[N+](C)(CN1CCCC1=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NCCCC[N+](C)(CN1CCCC1=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C30H51N3O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-16-22-29(34)31-24-17-18-26-33(2,28-20-14-13-15-21-28)27-32-25-19-23-30(32)35;/h13-15,20-21H,3-12,16-19,22-27H2,1-2H3;1H