methyl 4-dodecyl-4-methyl-piperazin-4-ium-1-carboxylate bromide

Systemtic Name: methyl 4-dodecyl-4-methyl-piperazin-4-ium-1-carboxylate bromide Openeye Name: methyl 4-dodecyl-4-methyl-piperazin-4-ium-1-carboxylate bromide CAS Name: 4-dodecyl-4-methyl-1-piperazin-4-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 4-dodecyl-4-methylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-lauryl-4-methyl-piperazin-4-ium-1-carboxylic acid methyl ester bromide Formula: C19H39BrN2O2 MolecularWeight: 407.42916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H39N2O2.BrH/c1-4-5-6-7-8-9-10-11-12-13-16-21(2)17-14-20(15-18-21)19(22)23-3;/h4-18H2,1-3H3;1H/q+1;/p-1