3-[1,4-bis[2-[(Z)-octadec-9-enoxy]ethyl]piperazin-1-ium-1-yl]propan-1-amine bromide

Systemtic Name: 3-[1,4-bis[2-[(Z)-octadec-9-enoxy]ethyl]piperazin-1-ium-1-yl]propan-1-amine bromide Openeye Name: 3-[1,4-bis[2-[(Z)-octadec-9-enoxy]ethyl]piperazin-1-ium-1-yl]propan-1-amine bromide CAS Name: 3-[1,4-bis[2-[(Z)-octadec-9-enoxy]ethyl]-1-piperazin-1-iumyl]-1-propanamine bromide IUPAC Name: 3-[1,4-bis[2-[(Z)-octadec-9-enoxy]ethyl]piperazin-1-ium-1-yl]propan-1-amine bromide Traditional Name: 3-[1,4-bis[2-[(Z)-octadec-9-enoxy]ethyl]piperazin-1-ium-1-yl]propylamine bromide Formula: C47H94BrN3O2 MolecularWeight: 813.17216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCCN1CC[N+](CC1)(CCCN)CCOCCCCCCCCC=CCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOCCN1CC[N+](CC1)(CCCN)CCOCCCCCCCC/C=C\CCCCCCCC.[Br-]

InChI

InChI=1S/C47H94N3O2.BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44-51-46-39-49-37-41-50(42-38-49,40-35-36-48)43-47-52-45-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20H,3-16,21-48H2,1-2H3;1H/q+1;/p-1/b19-17-,20-18-;