(3-azanylcycloheptyl)methyl-[3-(docosanoylamino)propyl]-dimethyl-azanium bromide

Systemtic Name: (3-azanylcycloheptyl)methyl-[3-(docosanoylamino)propyl]-dimethyl-azanium bromide Openeye Name: (3-aminocycloheptyl)methyl-[3-(docosanoylamino)propyl]-dimethyl-ammonium bromide CAS Name: (3-aminocycloheptyl)methyl-dimethyl-[3-(1-oxodocosylamino)propyl]ammonium bromide IUPAC Name: (3-aminocycloheptyl)methyl-[3-(docosanoylamino)propyl]-dimethylazanium bromide Traditional Name: (3-aminocycloheptyl)methyl-[3-(docosanoylamino)propyl]-dimethyl-ammonium bromide Formula: C35H72BrN3O MolecularWeight: 630.86968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1CCCCC(C1)N.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1CCCCC(C1)N.[Br-]

InChI

InChI=1S/C35H71N3O.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-35(39)37-29-25-30-38(2,3)32-33-26-23-24-27-34(36)31-33;/h33-34H,4-32,36H2,1-3H3;1H