3-[1,4-bis(2-dodecoxyethyl)piperazin-1-ium-1-yl]propan-1-amine bromide

Systemtic Name: 3-[1,4-bis(2-dodecoxyethyl)piperazin-1-ium-1-yl]propan-1-amine bromide Openeye Name: 3-[1,4-bis(2-dodecoxyethyl)piperazin-1-ium-1-yl]propan-1-amine bromide CAS Name: 3-[1,4-bis(2-dodecoxyethyl)-1-piperazin-1-iumyl]-1-propanamine bromide IUPAC Name: 3-[1,4-bis(2-dodecoxyethyl)piperazin-1-ium-1-yl]propan-1-amine bromide Traditional Name: 3-[1,4-bis(2-lauryloxyethyl)piperazin-1-ium-1-yl]propylamine bromide Formula: C35H74BrN3O2 MolecularWeight: 648.88496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCN1CC[N+](CC1)(CCCN)CCOCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOCCN1CC[N+](CC1)(CCCN)CCOCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C35H74N3O2.BrH/c1-3-5-7-9-11-13-15-17-19-21-32-39-34-27-37-25-29-38(30-26-37,28-23-24-36)31-35-40-33-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3;1H/q+1;/p-1