ethyl 4-dodecyl-4-prop-2-enyl-piperazin-4-ium-1-carboxylate bromide

Systemtic Name: ethyl 4-dodecyl-4-prop-2-enyl-piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-allyl-4-dodecyl-piperazin-4-ium-1-carboxylate bromide CAS Name: 4-dodecyl-4-prop-2-enyl-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-dodecyl-4-prop-2-enylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-allyl-4-lauryl-piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C22H43BrN2O2 MolecularWeight: 447.49302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC=C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC=C.[Br-]

InChI

InChI=1S/C22H43N2O2.BrH/c1-4-7-8-9-10-11-12-13-14-15-19-24(18-5-2)20-16-23(17-21-24)22(25)26-6-3;/h5H,2,4,6-21H2,1,3H3;1H/q+1;/p-1