1-(4-ethyl-4-pent-4-enyl-piperazin-4-ium-1-yl)hexadecan-1-one

Systemtic Name: 1-(4-ethyl-4-pent-4-enyl-piperazin-4-ium-1-yl)hexadecan-1-one Openeye Name: 1-(4-ethyl-4-pent-4-enyl-piperazin-4-ium-1-yl)hexadecan-1-one CAS Name: 1-(4-ethyl-4-pent-4-enyl-1-piperazin-4-iumyl)-1-hexadecanone IUPAC Name: 1-(4-ethyl-4-pent-4-enylpiperazin-4-ium-1-yl)hexadecan-1-one Traditional Name: 1-(4-ethyl-4-pent-4-enyl-piperazin-4-ium-1-yl)hexadecan-1-one Formula: C27H53N2O+ MolecularWeight: 421.72252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CCCC=C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CCCC=C

InChI

InChI=1S/C27H53N2O/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-27(30)28-22-25-29(6-3,26-23-28)24-20-8-5-2/h5H,2,4,6-26H2,1,3H3/q+1