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

Systemtic Name: 3-[1,4-bis(2-hexadecoxyethyl)piperazin-1-ium-1-yl]propan-1-amine Openeye Name: 3-[1,4-bis(2-hexadecoxyethyl)piperazin-1-ium-1-yl]propan-1-amine CAS Name: 3-[1,4-bis(2-hexadecoxyethyl)-1-piperazin-1-iumyl]-1-propanamine IUPAC Name: 3-[1,4-bis(2-hexadecoxyethyl)piperazin-1-ium-1-yl]propan-1-amine Traditional Name: 3-[1,4-bis(2-cetyloxyethyl)piperazin-1-ium-1-yl]propylamine Formula: C43H90N3O2+ MolecularWeight: 681.1936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCN1CC[N+](CC1)(CCCN)CCOCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCN1CC[N+](CC1)(CCCN)CCOCCCCCCCCCCCCCCCC

InChI

InChI=1S/C43H90N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40-47-42-35-45-33-37-46(38-34-45,36-31-32-44)39-43-48-41-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3/q+1