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

Systemtic Name: 1-(4-ethyl-4-prop-2-enyl-piperazin-4-ium-1-yl)tetradecan-1-one bromide Openeye Name: 1-(4-allyl-4-ethyl-piperazin-4-ium-1-yl)tetradecan-1-one bromide CAS Name: 1-(4-ethyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1-tetradecanone bromide IUPAC Name: 1-(4-ethyl-4-prop-2-enylpiperazin-4-ium-1-yl)tetradecan-1-one bromide Traditional Name: 1-(4-allyl-4-ethyl-piperazin-4-ium-1-yl)tetradecan-1-one bromide Formula: C23H45BrN2O MolecularWeight: 445.5202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45N2O.BrH/c1-4-7-8-9-10-11-12-13-14-15-16-17-23(26)24-18-21-25(6-3,20-5-2)22-19-24;/h5H,2,4,6-22H2,1,3H3;1H/q+1;/p-1