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1-(4-ethyl-4-prop-2-enyl-piperazin-4-ium-1-yl)docosan-1-one bromide

Systemtic Name:	1-(4-ethyl-4-prop-2-enyl-piperazin-4-ium-1-yl)docosan-1-one bromide
Openeye Name:	1-(4-allyl-4-ethyl-piperazin-4-ium-1-yl)docosan-1-one bromide
CAS Name:	1-(4-ethyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1-docosanone bromide
IUPAC Name:	1-(4-ethyl-4-prop-2-enylpiperazin-4-ium-1-yl)docosan-1-one bromide
Traditional Name:	1-(4-allyl-4-ethyl-piperazin-4-ium-1-yl)docosan-1-one bromide
Formula:	C₃₁H₆₁BrN₂O
MolecularWeight:	557.73284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CC=C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CC=C.[Br-]

InChI

InChI=1S/C31H61N2O.BrH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31(34)32-26-29-33(6-3,28-5-2)30-27-32;/h5H,2,4,6-30H2,1,3H3;1H/q+1;/p-1

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